Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50115530
Substrate
n/a
Meas. Tech.
ChEMBL_39639 (CHEMBL649945)
Ki
78±n/a nM
Citation
 Debnath, AK Generation of predictive pharmacophore models for CCR5 antagonists: study with piperidine- and piperazine-based compounds as a new class of HIV-1 entry inhibitors. J Med Chem 46:4501-15 (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:
BDBM50115530
Synonyms:
CHEMBL106468 | CHEMBL342452 | {4-[(4-Bromo-phenyl)-hydroxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-(2,6-dimethyl-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C27H34BrN3O2
Mol. Mass.:
512.482
SMILES:
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)C(N=O)c1ccc(Br)cc1
Structure:
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