Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50212827
Substrate
n/a
Meas. Tech.
ChEMBL_159305 (CHEMBL769358)
IC50
750±n/a nM
Citation
 DeCamp, DL; Babé, LM; Salto, R; Lucich, JL; Koo, MS; Kahl, SB; Craik, CS Specific inhibition of HIV-1 protease by boronated porphyrins. J Med Chem 35:3426-8 (1992) [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:
BDBM50212827
Synonyms:
CHEMBL3350189
Type:
Small organic molecule
Emp. Form.:
C45H61N7O7
Mol. Mass.:
812.0085
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
Structure:
Search PDB for entries with ligand similarity: