Reaction Details  Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50011682
Substrate
n/a
Meas. Tech.
ChEBML_158641
IC50
14±n/a nM
Citation
 Rich, DH; Sun, CQ; Vara Prasad, JV; Pathiasseril, A; Toth, MV; Marshall, GR; Clare, M; Mueller, RA; Houseman, K Effect of hydroxyl group configuration in hydroxyethylamine dipeptide isosteres on HIV protease inhibition. Evidence for multiple binding modes. J Med Chem 34:1222-5 (1991) [PubMed]
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:
BDBM50011682
Synonyms:
Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl | BDBM50407039 | CHEMBL131802
Type:
Small organic molecule
Emp. Form.:
C34H54N6O9
Mol. Mass.:
690.8274
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C
Structure:
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