Reaction Details  Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50104273
Substrate
n/a
Meas. Tech.
ChEMBL_2300262
IC50
0.800000±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:
BDBM50104273
Synonyms:
CHEMBL310106 | {1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-propyl-carbamic acid 3-carbamoyl-benzyl ester
Type:
Small organic molecule
Emp. Form.:
C34H43ClN4O5S
Mol. Mass.:
655.247
SMILES:
CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1cccc(c1)C(N)=O
Structure:
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