Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50065093
Substrate
n/a
Meas. Tech.
ChEMBL_157733 (CHEMBL765171)
Ki
0.059±n/a nM
Citation
 De Lucca, GV; Kim, UT; Liang, J; Cordova, B; Klabe, RM; Garber, S; Bacheler, LT; Lam, GN; Wright, MR; Logue, KA; Erickson-Viitanen, S; Ko, SS; Trainor, GL Nonsymmetric P2/P2' cyclic urea HIV protease inhibitors. Structure-activity relationship, bioavailability, and resistance profile of monoindazole-substituted P2 analogues. J Med Chem 41:2411-23 (1998) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50065093
Synonyms:
(4R,5S,6S,7R)-1-{3-[(Benzothiazol-2-ylmethyl)-amino]-benzyl}-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-[1,3]diazepan-2-one | CHEMBL311267
Type:
Small organic molecule
Emp. Form.:
C42H40N6O3S
Mol. Mass.:
708.87
SMILES:
O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(NCc3nc4ccccc4s3)c2)[C@@H]1Cc1ccccc1
Structure:
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