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TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0160nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0190nMAssay Description:Binding constant for ABL1(F317L)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0250nMAssay Description:Binding constant for ABL1(H396P)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0290nMAssay Description:Binding constant for ABL1-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0290nMAssay Description:Binding constant for ABL1(F317L)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1 [229-512](Human)
Stony Brook University

LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0300nMAssay Description:Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0320nMAssay Description:Binding constant for ABL1(F317L)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0360nMAssay Description:Binding constant for ABL1(Y253F)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0370nMAssay Description:Binding constant for ABL1(Q252H)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0370nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0390nMAssay Description:Binding constant for ABL1(Q252H)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0410nMAssay Description:Binding constant for ABL1(F317I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0460nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0460nMAssay Description:Binding constant for ABL1(H396P)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0470nMAssay Description:Binding constant for ABL1(E255K)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0470nMAssay Description:Binding constant for ABL1(E255K)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0570nMAssay Description:Binding constant for ABL1(H396P)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0570nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0580nMAssay Description:Binding constant for ABL1(Y253F)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0620nMAssay Description:Binding constant for ABL1(H396P)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.0640nMAssay Description:Binding constant for ABL1(Q252H)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.0860nMAssay Description:Binding constant for ABL1(Q252H)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.100nMAssay Description:Binding constant for ABL1(F317I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.110nMAssay Description:Binding constant for ABL1(F317L)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.120nMAssay Description:Binding constant for ABL1-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1 [229-512](Human)
Stony Brook University

LigandPNGBDBM185675(DAS-BODIPY)
Affinity DataKd:  0.150nMpH: 8.0Assay Description:Reaction volumes of 50 μL were used in 96-well plates. Buffer A (1×, 34 μL; 100 mM Tris, pH 8, 10 mM MgCl2) was added to a single row, foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2016
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.180nMAssay Description:Binding constant for ABL1(F317I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.300nMpH: 7.4 T: 2°CAssay Description:Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50425780(CHEMBL2316582)
Affinity DataKd:  0.320nMAssay Description:Binding affinity to non phosphorylated wild type ABL1 (unknown origin) after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1 [229-512](Human)
Stony Brook University

LigandPNGBDBM185673(DAS-CHO-II)
Affinity DataKd:  0.320nMAssay Description:Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2016
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50425780(CHEMBL2316582)
Affinity DataKd:  0.340nMAssay Description:Binding affinity to phosphorylated wild type ABL1 (unknown origin) after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM524049(US11136333, Compound 19a)
Affinity DataKd:  0.380nMAssay Description:This assay is described in https://www.discoverx.com/kinase-data-sheets/abl1-nonphosphorylated.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details
US Patent

TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM524044(US11136333, Compound 12c)
Affinity DataKd:  0.400nMAssay Description:This assay is described in https://www.discoverx.com/kinase-data-sheets/abl1-nonphosphorylated.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details
US Patent

LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataKd:  0.450nMAssay Description:Binding affinity to BCR-ABL1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50459091(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)
Affinity DataKd:  0.5nMAssay Description:Binding affinity to ABL1 (64 to 515 residues) (unknown origin) expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.5nMpH: 7.4 T: 2°CAssay Description:Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6568(PD-173955 | CHEMBL386051 | 6-(2,6-dichlorophenyl)-...)
Affinity DataKd:  0.520nMAssay Description:Binding constant for ABL1(M351T)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.530nMAssay Description:Binding constant for ABL1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.530nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2011
Entry Details
PCBioAssayPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6568(PD-173955 | CHEMBL386051 | 6-(2,6-dichlorophenyl)-...)
Affinity DataKd:  0.550nMAssay Description:Binding constant for ABL1(E255K)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6568(PD-173955 | CHEMBL386051 | 6-(2,6-dichlorophenyl)-...)
Affinity DataKd:  0.580nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6568(PD-173955 | CHEMBL386051 | 6-(2,6-dichlorophenyl)-...)
Affinity DataKd:  0.580nMAssay Description:This assay is described in https://www.discoverx.com/kinase-data-sheets/abl1-nonphosphorylated.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM4552(CHEMBL288441 | SKI-606 | 4-[(2,4-Dichloro-5-methox...)
Affinity DataKd:  0.630nMAssay Description:Binding constant for ABL1(F317I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM6568(PD-173955 | CHEMBL386051 | 6-(2,6-dichlorophenyl)-...)
Affinity DataKd:  0.630nMAssay Description:Binding constant for ABL1(H396P)-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM524050(US11136333, Compound 19bbIC50)
Affinity DataKd:  0.660nMAssay Description:This assay is described in https://www.discoverx.com/kinase-data-sheets/abl1-nonphosphorylated.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details
US Patent

TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM31085(cid_11409972 | 1-[4-[(4-ethylpiperazin-1-yl)methyl...)
Affinity DataKd:  0.680nMAssay Description:Binding constant for ABL1-non phosphorylated kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1 [229-512](Human)
Stony Brook University

LigandPNGBDBM50322535(3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-meth...)
Affinity DataKd:  0.700nMAssay Description:Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.700nMpH: 7.4 T: 2°CAssay Description:Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM6572(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Affinity DataKd:  0.700nMAssay Description:Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ABL1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM13216(N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyeth...)
Affinity DataKd:  0.720nMAssay Description:Binding constant for ABL1(M351T) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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