Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50123132
Substrate
n/a
Meas. Tech.
ChEMBL_39509 (CHEMBL654654)
IC50
1.1±n/a nM
Citation
 Willoughby, CA; Rosauer, KG; Hale, JJ; Budhu, RJ; 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 bearing 4-aminoheterocycle substituted piperidine side chains. Bioorg Med Chem Lett 13:427-31 (2003) [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:
BDBM50123132
Synonyms:
(R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(cyclopropylmethyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid | CHEMBL137327
Type:
Small organic molecule
Emp. Form.:
C31H42FN5O2
Mol. Mass.:
535.6959
SMILES:
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ncccn2)[C@H](C1)c1cccc(F)c1
Structure:
Search PDB for entries with ligand similarity: