Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50578294
Substrate
n/a
Meas. Tech.
ChEMBL_2132534 (CHEMBL4842049)
IC50
1.1±n/a nM
Citation
 Cherney, RJ; Anjanappa, P; Selvakumar, K; Batt, DG; Brown, GD; Rose, AV; Vuppugalla, R; Chen, J; Pang, J; Xu, S; Yarde, M; Tebben, AJ; Paidi, VR; Cvijic, ME; Mathur, A; Barrish, JC; Mandlekar, S; Zhao, Q; Carter, PH BMS-813160: A Potent CCR2 and CCR5 Dual Antagonist Selected as a Clinical Candidate. ACS Med Chem Lett 12:1753-1758 (2021) [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:
BDBM50578294
Synonyms:
Bms 813160 | Bms-813160
Type:
Small organic molecule
Emp. Form.:
C25H40N8O2
Mol. Mass.:
484.6375
SMILES:
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
Structure:
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