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Target
C-C chemokine receptor type 5
Ligand
BDBM50355900
Substrate
n/a
Meas. Tech.
ChEMBL_775893 (CHEMBL1912866)
IC50
2850±n/a nM
Citation
 Bhalay, G; Albrecht, B; Akhlaq, M; Baettig, U; Beer, D; Brown, Z; Charlton, S; Dunstan, A; Bradley, M; Gedeck, P; Glen, A; Howe, T; Keller, T; Leighton-Davies, J; Li, A; McCarthy, C; Mocquet, C; Owen, C; Nicklin, P; Rosethorne, E Design and synthesis of a library of chemokine antagonists. Bioorg Med Chem Lett 21:6249-52 (2011) [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:
BDBM50355900
Synonyms:
CHEMBL1910167
Type:
Small organic molecule
Emp. Form.:
C26H35FN2O4S
Mol. Mass.:
490.631
SMILES:
COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CN2CCC(Cc3ccc(F)cc3)CC2)CC1
Structure:
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