BindingDB logo
myBDB logout

PDB code 1S1W

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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
Human immunodeficiency virus type 1 reverse transcriptase

  (436/440 > 99%)
(Human immunodeficiency virus 1)
BDBM50105629
PNG
(CHEMBL54893 | N-(4-chloro-3-(3-methylbut-2-enyloxy...)
Show SMILES CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl
Show InChI InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 24n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 7 in the article)


Bioorg Med Chem Lett 11: 2799-802 (2001)


Article DOI: 10.1016/s0960-894x(01)00510-8
BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase

  (436/440 > 99%)
(Human immunodeficiency virus 1)
BDBM50105629
PNG
(CHEMBL54893 | N-(4-chloro-3-(3-methylbut-2-enyloxy...)
Show SMILES CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl
Show InChI InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Effective concentration required against wild type HIV-1 reverse transcriptase


Bioorg Med Chem Lett 11: 2799-802 (2001)


Article DOI: 10.1016/s0960-894x(01)00510-8
BindingDB Entry DOI: 10.7270/Q2J103P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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