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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50593245
Substrate
n/a
Meas. Tech.
ChEMBL_2207810 (CHEMBL5120518)
IC50
0.680000±n/a nM
Citation
 Kusumoto, Y; Hayashi, K; Sato, S; Yamada, T; Kozono, I; Nakata, Z; Asada, N; Mitsuki, S; Watanabe, A; Wakasa-Morimoto, C; Uemura, K; Arita, S; Miki, S; Mizutare, T; Mikamiyama, H Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization. ACS Med Chem Lett 13:1634-1641 (2022) [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:
BDBM50593245
Synonyms:
CHEMBL5195759
Type:
Small organic molecule
Emp. Form.:
C63H85N9O9S
Mol. Mass.:
1144.469
SMILES:
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(C)C)C(C)C |r|
Structure:
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