Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50509861
Substrate
n/a
Meas. Tech.
ChEMBL_1839509 (CHEMBL4339724)
IC50
3469±n/a nM
Citation
 Yang, MG; Xiao, Z; Cherney, RJ; Tebben, AJ; Batt, DG; Brown, GD; Chen, J; Cvijic, ME; Dabros, M; Duncia, JV; Galella, M; Gardner, DS; Khandelwal, P; Ko, SS; Malley, MF; Mo, R; Pang, J; Rose, AV; Santella, JB; Shi, H; Srivastava, A; Traeger, SC; Wang, B; Xu, S; Zhao, R; Barrish, JC; Mandlekar, S; Zhao, Q; Carter, PH Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett 10:300-305 (2019) [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:
BDBM50509861
Synonyms:
CHEMBL4463290
Type:
Small organic molecule
Emp. Form.:
C23H33F3N4O4S
Mol. Mass.:
518.593
SMILES:
CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NS(C)(=O)=O)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O |r|
Structure:
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