Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50104931
Substrate
n/a
Meas. Tech.
ChEMBL_39638 (CHEMBL649944)
Ki
2.1±n/a nM
Citation
 Palani, A; Shapiro, S; Clader, JW; Greenlee, WJ; Cox, K; Strizki, J; Endres, M; Baroudy, BM Discovery of 4-[(Z)-(4-bromophenyl)- (ethoxyimino)methyl]-1'-[(2,4-dimethyl-3- pyridinyl)carbonyl]-4'-methyl-1,4'- bipiperidine N-oxide (SCH 351125): an orally bioavailable human CCR5 antagonist for the treatment of HIV infection. J Med Chem 44:3339-42 (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:
BDBM50104931
Synonyms:
(4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone | (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4''''-methyl-[1,4'''']bipiperidinyl-1''''-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone | (4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone | 3-(4-((4-bromophenyl)(ethoxyimino)methyl)-4''-methyl-1,4''-bipiperidine-1''-carbonyl)-1,2,4-trimethylpyridinium | CHEMBL336672 | CHEMBL78535 | SCH-351125 | {4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone
Type:
Small organic molecule
Emp. Form.:
C28H37BrN4O3
Mol. Mass.:
557.522
SMILES:
CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: