Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50615206
Substrate
n/a
Meas. Tech.
ChEMBL_2300263
IC50
2000±n/a nM
Citation
 Arimont, M; Sun, SL; Leurs, R; Smit, M; de Esch, IJP; de Graaf, C Structural Analysis of Chemokine Receptor-Ligand Interactions. J Med Chem 60:4735-4779 (2017) [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:
BDBM50615206
Synonyms:
CHEMBL5268295
Type:
Small organic molecule
Emp. Form.:
C26H16ClN3O4S3
Mol. Mass.:
566.071
SMILES:
OC1=C(C(N(C1=O)c1nnc(SCc2ccc(Cl)cc2)s1)c1cccs1)C(=O)c1cc2ccccc2o1 |t:1|
Structure:
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