Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50041949
Substrate
n/a
Meas. Tech.
ChEBML_158994
IC50
5.4±n/a nM
Citation
 Wonacott, ACooke, RHayes, FRHann, MMJhoti, HMcMeekin, PMistry, AMurray-Rust, PSingh, OMWeir, MP A series of penicillin-derived C2-symmetric inhibitors of HIV-1 proteinase: structural and modeling studies. J Med Chem 36:3113-9 (1993) [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:
BDBM50041949
Synonyms:
4N-{2-[5-ethylcarbamoyl(5-methyl-3-phenyl-4-isoxazolylcarboxamido)methyl-2,2,4-trimethyl-(3S,5S)-tetrahydro-3-thiophenylcarboxamido]ethyl}-2-ethylcarbamoyl(5-methyl-3-phenyl-4-isoxazolylcarboxamido)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolane | CHEMBL319400
Type:
Small organic molecule
Emp. Form.:
C44H56N10O8S2
Mol. Mass.:
917.108
SMILES:
CCNC(=O)[C@@H](NC(=O)c1c(C)onc1-c1ccccc1)[C@@H]1NC(C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)c2c(C)onc2-c2ccccc2)C(=O)NCC)C(C)(C)S1
Structure:
Search PDB for entries with ligand similarity: