BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetC-C chemokine receptor type 5
LigandBDBM50488230
Substrate/Competitorn/a
Meas. Tech.ChEMBL_922573 (CHEMBL3077270)
IC50 47±n/a nM
Citation  TBA Med Chem Res22:1356-1364 (2013)    Article
More Info.:Get all data from this article,  Assay Method
 
C-C chemokine receptor type 5
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:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKR
LKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFII
LLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSS
HFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTI
MIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFV
GEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50488230
n/a
NameBDBM50488230
Synonyms:CHEMBL2281967
TypeSmall organic molecule
Emp. Form.C30H34BrClN2O3
Mol. Mass.585.96
SMILESCc1cccc(C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 |(55.12,-4.45,;56.45,-3.68,;56.45,-2.14,;57.79,-1.37,;59.12,-2.13,;59.12,-3.67,;60.45,-4.45,;57.77,-4.44,;57.77,-5.98,;56.44,-6.75,;55.11,-5.98,;56.44,-8.29,;57.77,-9.06,;57.77,-10.6,;59.1,-9.82,;59.11,-11.37,;59.11,-12.91,;57.77,-13.68,;57.78,-15.22,;56.44,-15.99,;55.11,-15.23,;53.78,-16,;52.45,-15.23,;53.78,-17.54,;55.11,-18.31,;56.45,-17.54,;57.78,-18.31,;57.79,-19.85,;59.12,-20.62,;59.12,-22.15,;60.45,-22.92,;61.78,-22.15,;63.12,-22.91,;61.78,-20.6,;60.44,-19.84,;56.44,-12.92,;56.44,-11.37,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: