Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50563422
Substrate
n/a
Meas. Tech.
ChEMBL_2082512 (CHEMBL4738303)
IC50
3981±n/a nM
Citation
 Ortiz Zacarķas, NV; Chahal, KK; ?imkovį, T; van der Horst, C; Zheng, Y; Inoue, A; Theunissen, E; Mallee, L; van der Es, D; Louvel, J; IJzerman, AP; Handel, TM; Kufareva, I; Heitman, LH Design and Characterization of an Intracellular Covalent Ligand for CC Chemokine Receptor 2. J Med Chem 64:2608-2621 (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:
BDBM50563422
Synonyms:
CHEMBL4760108
Type:
Small organic molecule
Emp. Form.:
C19H12Cl3NO5S
Mol. Mass.:
472.726
SMILES:
OC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
Structure:
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