Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50325322
Substrate
n/a
Meas. Tech.
ChEMBL_651986 (CHEMBL1227659)
IC50
6.77±n/a nM
Citation
 Li, B; Jones, ED; Zhou, E; Chen, L; Baylis, DC; Yu, S; Wang, M; He, X; Coates, JA; Rhodes, DI; Pei, G; Deadman, JJ; Xie, X; Ma, D Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 2: Discovery of highly potent anti-HIV agents. Bioorg Med Chem Lett 20:5334-6 (2010) [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:
BDBM50325322
Synonyms:
1-allyl-1-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)-3-(4-(trifluoromethyl)benzyl)urea | CHEMBL1222772
Type:
Small organic molecule
Emp. Form.:
C36H44F4N4O3
Mol. Mass.:
656.7532
SMILES:
O[C@@]1(CN(C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@@H](C2)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1cccc(F)c1 |r,THB:6:7:13.12.14:10.9|
Structure:
Search PDB for entries with ligand similarity: