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TargetC-C chemokine receptor type 5
LigandBDBM50088319
Substrate/Competitorn/a
Meas. Tech.ChEMBL_39630 (CHEMBL649937)
IC50 2.2±n/a nM
Citation Shiraishi, MAramaki, YSeto, MImoto, HNishikawa, YKanzaki, NOkamoto, MSawada, HNishimura, OBaba, MFujino, M Discovery of novel, potent, and selective small-molecule CCR5 antagonists as anti-HIV-1 agents: synthesis and biological evaluation of anilide derivatives with a quaternary ammonium moiety. J Med Chem43:2049-63 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
C-C chemokine receptor type 5
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:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50088319
n/a
NameBDBM50088319
Synonyms:CHEMBL62339 | Dimethyl-(4-{[3-(4-piperidin-1-yl-phenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbonyl]-amino}-benzyl)-(tetrahydro-pyran-4-yl)-ammonium; iodide
TypeSmall organic molecule
Emp. Form.C37H46N3O2
Mol. Mass.564.7795
SMILESC[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCCC2)cc1)C1CCOCC1 |t:11|
Structure
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