Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM50275573
Substrate
n/a
Meas. Tech.
ChEMBL_496808 (CHEMBL1008821)
IC50
70±n/a nM
Citation
 Blagg, J; Mowbray, C; Pryde, DC; Salmon, G; Schmid, E; Fairman, D; Beaumont, K Small, non-peptide C5a receptor antagonists: part 1. Bioorg Med Chem Lett 18:5601-4 (2008) [PubMed]  Article 
Target
Name:
C5a anaphylatoxin chemotactic receptor 1
Synonyms:
C5AR | C5AR1 | C5AR1_HUMAN | C5R1 | C5a anaphylatoxin chemotactic receptor | C5a anaphylatoxin chemotactic receptor (C5aR) | C5a-R | CD_antigen=CD88
Type:
Enzyme
Mol. Mass.:
39347.68
Organism:
Homo sapiens (Human)
Description:
P21730
Residue:
350
Sequence:
MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
  
Inhibitor
Name:
BDBM50275573
Synonyms:
CHEMBL487167 | trans-N-(4-chlorophenethyl)-N-4-hydroxycyclohexyl)benzo[b]thiophene-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C23H24ClNO2S
Mol. Mass.:
413.96
SMILES:
O[C@H]1CC[C@@H](CC1)N(CCc1ccc(Cl)cc1)C(=O)c1csc2ccccc12 |r,wU:4.7,wD:1.0,(.33,-50.89,;.33,-49.35,;1.66,-48.58,;1.66,-47.03,;.33,-46.28,;-1.01,-47.04,;-1,-48.58,;.33,-44.74,;1.66,-43.96,;3,-44.73,;4.33,-43.95,;5.65,-44.72,;6.98,-43.95,;6.98,-42.4,;8.31,-41.63,;5.63,-41.64,;4.31,-42.42,;-1.01,-43.97,;-1.01,-42.43,;-2.34,-44.74,;-2.49,-46.27,;-4,-46.6,;-4.77,-45.27,;-6.28,-44.96,;-6.75,-43.48,;-5.72,-42.33,;-4.21,-42.66,;-3.74,-44.12,)|
Structure:
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