Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50605056
Substrate
n/a
Meas. Tech.
ChEMBL_2250263 (CHEMBL5164473)
IC50
2000±n/a nM
Citation
 Kojima, E; Iimuro, A; Nakajima, M; Kinuta, H; Asada, N; Sako, Y; Nakata, Z; Uemura, K; Arita, S; Miki, S; Wakasa-Morimoto, C; Tachibana, Y Pocket-to-Lead: Structure-Based  J Med Chem 65:6157-6170 (2022) [PubMed] 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | Pol polyprotein | POL_HV1H2 | 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:
BDBM50605056
Synonyms:
CHEMBL5198345
Type:
Small organic molecule
Emp. Form.:
C24H31NO5S
Mol. Mass.:
445.58
SMILES:
COc1ccc(CN2C[C@H](O)[C@](CCC(C)C)(C2=O)c2ccc(cc2)S(C)(=O)=O)cc1 |r|
Structure:
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