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PDB code 1SWK

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
Streptavidin

  (126/127 > 99%)
(Streptomyces avidinii)
BDBM12
PNG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
Show SMILES OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 1n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to Streptomyces avidinii streptavidin by NMR analysis


J Med Chem 57: 7819-37 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Identical Ligands in BindingDB

Found 16 hits Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Streptavidin  (126/127 > 99%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-123n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(W120F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-81.1n/an/a25



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(Y43A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-90.4n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(S27A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-103n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23E)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-108n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-90.0n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavidin  (126/127 > 99%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-104n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavidin (Y43F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-115n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(Y43A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-66.9n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(S27A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-97.5n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23E)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-100n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-75.3n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavidin  (126/127 > 99%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-102n/an/a25



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(W79F)  (127/127 = 100%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-109n/an/a25.3



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(W108F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-98.2n/an/a25.2



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavidin (Y43F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-118n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)


Similar Ligands in BindingDB*

Found 16 hits Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Streptavidin  (126/127 > 99%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-123n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(W120F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-81.1n/an/a25



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(Y43A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-90.4n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(S27A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-103n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23E)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-108n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-90.0n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavidin  (126/127 > 99%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-104n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavidin (Y43F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-115n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(Y43A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-66.9n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(S27A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-97.5n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23E)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-100n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavadin(N23A)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-75.3n/a725



University of Washington





Biochemistry 37: 7657-63 (1998)

Streptavidin  (126/127 > 99%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-102n/an/a25



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(W79F)  (127/127 = 100%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-109n/an/a25.3



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavadin(W108F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-98.2n/an/a25.2



University of Washington





J Am Chem Soc 117: 10622-10628 (1995)

Streptavidin (Y43F)  (125/127 = 98%)

(Streptomyces avidinii)
BDBM12
JPEG
(5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)
GoogleScholar
PDB
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
n/an/a-118n/a737



University of Washington





Biochemistry 37: 7657-63 (1998)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output