Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50119321
Substrate
n/a
Meas. Tech.
ChEMBL_39511 (CHEMBL654808)
IC50
0.2±n/a nM
Citation
Lynch, CL; Hale, JJ; Budhu, RJ; Gentry, AL; Mills, SG; Chapman, KT; MacCoss, M; Malkowitz, L; Springer, MS; Gould, SL; DeMartino, JA; Siciliano, SJ; Cascieri, MA; Carella, A; Carver, G; Holmes, K; Schleif, WA; Danzeisen, R; Hazuda, D; Kessler, J; Lineberger, J; Miller, M; Emini, EA 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 4: synthesis of N-1 acidic functionality affording analogues with enhanced antiviral activity against HIV. Bioorg Med Chem Lett 12:3001-4 (2002) [PubMed] Article
More Info.:
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor
Type:
Enzyme
Mol. Mass.:
40540.21
Organism:
Homo sapiens (Human)
Description:
P51681
Residue:
352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Inhibitor
Name:
BDBM50119321
Synonyms:
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-{3-[4-(1H-tetrazol-5-yl)-phenyl]-propyl}-piperidin-4-ol | 1-(1-cyclohexylmethyl-4-phenyltetrahydro-1H-3-pyrrolylmethyl)-4-{3-[4-(1H-1,2,3,4-tetraazol-5-yl)phenyl]propyl}hexahydro-4-pyridinol | 4-(3-(4-(1H-tetrazol-5-yl)phenyl)propyl)-1-(((3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-ol | CHEMBL319593
Type:
Small organic molecule
Emp. Form.:
C33H46N6O
Mol. Mass.:
542.7579
SMILES:
OC1(CCCc2ccc(cc2)-c2nnn[nH]2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 |r|