Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50096540
Substrate
n/a
Meas. Tech.
ChEBML_39507
IC50
10±n/a nM
Citation
 Kim, D; Wang, L; Caldwell, CG; Chen, P; Finke, PE; Oates, B; MacCoss, M; Mills, SG; Malkowitz, L; Gould, SL; DeMartino, JA; Springer, MS; Hazuda, D; Miller, M; Kessler, J; Danzeisen, R; Carver, G; Carella, A; Holmes, K; Lineberger, J; Schleif, WA; Emini, EA Discovery of human CCR5 antagonists containing hydantoins for the treatment of HIV-1 infection. Bioorg Med Chem Lett 11:3099-102 (2001) [PubMed]
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:
BDBM50096540
Synonyms:
(2S)-2-(3-chlorophenyl)-1-[(N-methyl-N-phenylsulfonyl)amino]-4-[spiro(2,3-dihydrobenzthiophene-3,40-piperidin-10-yl)]butane S-oxide | 1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)] | 1-oxo-1'-[3-(3-chlorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)] | Analogue of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane | CHEMBL83338 | N-{(S)-2-(3-chloro-phenyl)-4-[4-(1-oxo-spiro-(1-benzothiophene-3,4-piperidin-1-yl)]-butyl}-N-methyl-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C29H33ClN2O3S2
Mol. Mass.:
557.167
SMILES:
CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Structure:
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