Target
HIV-1 protease
Ligand
BDBM520
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.06±0.0 nM
Citation
 Chellappan, SKiran Kumar Reddy, GSAli, ANalam, MNAnjum, SGCao, HKairys, VFernandes, MXAltman, MDTidor, BRana, TMSchiffer, CAGilson, MK Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis. Chem Biol Drug Des 69:298-313 (2007) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
10653.94
Organism:
Human immunodeficiency virus
Description:
O90783
Residue:
98
Sequence:
PQVTLWQRPLVTIRVGGQLKEALLDTGADDTVLEDMNLPGRWKPKMIGGIGGFIKVRQYDQITVEICGHKAIGTVLVGPTPVNIIGRNLLTIGCTLNF
  
Inhibitor
Name:
BDBM520
Synonyms:
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate | ABT-538 | CHEMBL163 | Norvir | RTV | Ritonavir
Type:
Small organic molecule
Emp. Form.:
C37H48N6O5S2
Mol. Mass.:
720.944
SMILES:
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: