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Target
C-C chemokine receptor type 5
Ligand
BDBM50100016
Substrate
n/a
Meas. Tech.
ChEBML_39502
IC50
170±n/a nM
Citation
 Hale, JJ; Budhu, RJ; Mills, SG; MacCoss, M; Malkowitz, L; Siciliano, S; Gould, SL; DeMartino, JA; Springer, MS 1,3,4-Trisubstituted pyrrolidine CCR5 receptor antagonists. Part 1: discovery of the pyrrolidine scaffold and determination of its stereochemical requirements. Bioorg Med Chem Lett 11:1437-40 (2001) [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:
BDBM50100016
Synonyms:
1'-[4-phenyl-1-phenylsulfonyl-(3S,4S)-tetrahydro-1H-3-pyrrolylmethyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1,1-dioxide] | CHEMBL431111
Type:
Small organic molecule
Emp. Form.:
C29H32N2O4S2
Mol. Mass.:
536.705
SMILES:
O=S(=O)(N1C[C@H](CN2CCC3(CS(=O)(=O)c4ccccc34)CC2)[C@H](C1)c1ccccc1)c1ccccc1
Structure:
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