Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50119338
Substrate
n/a
Meas. Tech.
ChEBML_49693
IC50
0.100000±n/a nM
Citation
 Lynch, CL; Willoughby, CA; Hale, JJ; Holson, EJ; Budhu, RJ; Gentry, AL; Rosauer, KG; Caldwell, CG; Chen, P; Mills, SG; MacCoss, M; Berk, S; Chen, L; Chapman, KT; 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: modifications of the arylpropylpiperidine side chains. Bioorg Med Chem Lett 13:119-23 (2002) [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:
BDBM50119338
Synonyms:
(R)-3-Cyclobutyl-2-{(3S,4S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid | (R)-3-Cyclobutyl-2-{(S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid | 3-cyclobutyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}propanoic acid | CHEMBL20896
Type:
Small organic molecule
Emp. Form.:
C32H44N2O2
Mol. Mass.:
488.704
SMILES:
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: