Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50257731
Substrate
n/a
Meas. Tech.
ChEMBL_566336 (CHEMBL956846)
IC50
4±n/a nM
Citation
 Duan, M; Aquino, C; Ferris, R; Kazmierski, WM; Kenakin, T; Koble, C; Wheelan, P; Watson, C; Youngman, M [2-(4-Phenyl-4-piperidinyl)ethyl]amine based CCR5 antagonists: derivatizations at the N-terminal of the piperidine ring. Bioorg Med Chem Lett 19:1610-3 (2009) [PubMed]  Article
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:
BDBM50257731
Synonyms:
2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)piperidin-1-yl)acetic acid | CHEMBL505443
Type:
Small organic molecule
Emp. Form.:
C36H40F2N4O2
Mol. Mass.:
598.7252
SMILES:
Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc(F)cc1)c1cccc(F)c1 |r,TLB:9:10:17:13.14|
Structure:
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