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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Glutathione transferase omega 1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458512
PNG
(CHEMBL4215608)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)CCl
Show InChI InChI=1S/C21H23ClFN3O2/c22-14-19(27)26(17-10-6-7-15(23)13-17)20(18-11-4-5-12-24-18)21(28)25-16-8-2-1-3-9-16/h4-7,10-13,16,20H,1-3,8-9,14H2,(H,25,28)
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n/an/a 21n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSTO1-1 incubated for 30 mins by fluorescence polarization based gel-based competitive ABPP assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM75773
PNG
(N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propy...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(CCCN(CC#C)C(=O)C(F)(F)F)C(=O)CCl
Show InChI InChI=1S/C16H15ClF3N3O4/c1-2-8-21(15(25)16(18,19)20)9-3-10-22(14(24)11-17)12-4-6-13(7-5-12)23(26)27/h1,4-7H,3,8-11H2
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n/an/a 23n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12297
BindingDB Entry DOI: 10.7270/Q2N29VDB
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458515
PNG
(CHEMBL1502738)
Show SMILES [O-][N+](=O)c1ccc(cc1)N(CCCNC(=O)C(F)(F)F)C(=O)CCl
Show InChI InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)
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n/an/a 28n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by enzymatic assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458516
PNG
(CHEMBL4210652)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
Show InChI InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
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n/an/a 31n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by enzymatic assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM63200
PNG
(2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...)
Show SMILES COc1ccc(cc1)C(N(C(=O)CCl)c1cccc(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H26Cl2N2O3/c1-30-20-12-10-16(11-13-20)22(23(29)26-18-7-3-2-4-8-18)27(21(28)15-24)19-9-5-6-17(25)14-19/h5-6,9-14,18,22H,2-4,7-8,15H2,1H3,(H,26,29)
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n/an/a 32n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TQ600K
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458512
PNG
(CHEMBL4215608)
Show SMILES Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccn1)C(=O)CCl
Show InChI InChI=1S/C21H23ClFN3O2/c22-14-19(27)26(17-10-6-7-15(23)13-17)20(18-11-4-5-12-24-18)21(28)25-16-8-2-1-3-9-16/h4-7,10-13,16,20H,1-3,8-9,14H2,(H,25,28)
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n/an/a 35n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 in human MDA-MB-231 cells


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458522
PNG
(CHEMBL4203414)
Show SMILES CC(C)CCCC(C)CCOc1ccc2c(ccc3oc(cc(=O)c23)C2(O)C=CC(=O)C=C2)c1
Show InChI InChI=1S/C29H32O5/c1-19(2)5-4-6-20(3)13-16-33-23-8-9-24-21(17-23)7-10-26-28(24)25(31)18-27(34-26)29(32)14-11-22(30)12-15-29/h7-12,14-15,17-20,32H,4-6,13,16H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458520
PNG
(CHEMBL1486332)
Show SMILES Fc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C21H23ClFN3O2/c22-13-19(27)26(18-10-8-16(23)9-11-18)20(15-5-4-12-24-14-15)21(28)25-17-6-2-1-3-7-17/h4-5,8-12,14,17,20H,1-3,6-7,13H2,(H,25,28)
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n/an/a 54n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by enzymatic assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM54247
PNG
(2-Chloro-N-(3,4-dimethoxy-benzyl)-N-[3-(4-isopropo...)
Show SMILES COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC
Show InChI InChI=1S/C29H34ClNO4/c1-21(2)35-25-13-11-24(12-14-25)26(23-8-6-5-7-9-23)16-17-31(29(32)19-30)20-22-10-15-27(33-3)28(18-22)34-4/h5-15,18,21,26H,16-17,19-20H2,1-4H3
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n/an/a 120n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50277889
PNG
(CARFILZOMIB | CHEMBL451887)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) pre-incubated for 1 hr before GSH addition by CDNB-GSH conjugation assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50155925
PNG
(CHEMBL3781794)
Show SMILES Fc1ccc(cc1S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12)C1CO1
Show InChI InChI=1S/C21H21FN2O4S/c22-17-8-7-14(18-11-28-18)10-19(17)29(26,27)24-21(25)23-20-15-5-1-3-12(15)9-13-4-2-6-16(13)20/h7-10,18H,1-6,11H2,(H2,23,24,25)
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n/an/a 250n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Irreversible inhibition of GSTO 1-1 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP


J Med Chem 59: 1691-710 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01091
BindingDB Entry DOI: 10.7270/Q2416ZZM
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50155924
PNG
(CHEMBL3780419)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(ccc1F)C1CO1
Show InChI InChI=1S/C21H25FN2O4S/c1-12(2)15-6-5-7-16(13(3)4)20(15)23-21(25)24-29(26,27)19-10-14(18-11-28-18)8-9-17(19)22/h5-10,12-13,18H,11H2,1-4H3,(H2,23,24,25)
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n/an/a 350n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Irreversible inhibition of GSTO 1-1 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP


J Med Chem 59: 1691-710 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01091
BindingDB Entry DOI: 10.7270/Q2416ZZM
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458514
PNG
(CHEMBL4214871)
Show SMILES CCN(CC)C(=O)SSC(=O)N(CC)CC
Show InChI InChI=1S/C10H20N2O2S2/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
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n/an/a<400n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by enzymatic assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM43766
PNG
(5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1
Show InChI InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458519
PNG
(CHEMBL4211176)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OP(O)(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C29H51O5P/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29/h20-22H,9-19H2,1-8H3,(H2,30,31,32)/t21-,22-,29-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human GSTO1-1 by MMA (V) reductase assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458511
PNG
((+)-ALPHA-TOCOPHERYL SUCCINATE | Alpha-Tocopheryl ...)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)CCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)/t23-,24-,33-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human GSTO1-1 by MMA (V) reductase assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 4.60E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by enzymatic assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458518
PNG
(CHEMBL4211589)
Show SMILES CCC(C)[C@H](NC(=O)CCOS(=O)(=O)c1ccccc1)C(=O)NCC(=O)N[C@@H](CC#C)C(N)=O
Show InChI InChI=1S/C22H30N4O7S/c1-4-9-17(21(23)29)25-19(28)14-24-22(30)20(15(3)5-2)26-18(27)12-13-33-34(31,32)16-10-7-6-8-11-16/h1,6-8,10-11,15,17,20H,5,9,12-14H2,2-3H3,(H2,23,29)(H,24,30)(H,25,28)(H,26,27)/t15?,17-,20-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 in human HeLa cells


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50186231
PNG
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human GSTO1-1 by MMA (V) reductase assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50371232
PNG
(CARNOSIC ACID)
Show SMILES CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)c2c(O)c1O
Show InChI InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50370232
PNG
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by enzymatic assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50458521
PNG
(1-chloro-2,4-dinitrobenzene | CHEBI:34718 | DINITR...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
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n/an/a 9.00E+5n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human GSTO1-1 by MMA (V) reductase assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM225702
PNG
(CS331)
Show SMILES C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
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n/an/a 1.02E+6n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of human GSTO1-1 by MMA (V) reductase assay


J Med Chem 61: 7448-7470 (2018)


BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair