Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM50366479
Substrate
n/a
Meas. Tech.
ChEMBL_41458 (CHEMBL652979)
IC50
200±n/a nM
Citation
 de Laszlo, S; Allen, E; Li, B; Ondeyka, D; Rivero, R; Malkowitz, L; Molineaux, C; Siciliano, S; Springer, M; Greenlee, W; Mantlo, N A nonpeptidic agonist ligand of the human C5a receptor: Synthesis, binding affinity optimization and functional characterization Bioorg Med Chem Lett 7:213-218 (1997)    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:
BDBM50366479
Synonyms:
CHEMBL1790511
Type:
Small organic molecule
Emp. Form.:
C26H38N6O3
Mol. Mass.:
482.6183
SMILES:
CC[C@@H](C)[C@H](C(=O)N1CCC2(CCc3ccccc23)CC1)n1c(O)c(CCCN=C(N)N)[nH]c1=O |wU:4.23,wD:2.2,(8.18,-11.05,;7.09,-9.97,;5.6,-10.38,;4.51,-9.3,;5.21,-11.85,;3.71,-12.26,;3.33,-13.76,;2.63,-11.18,;3.01,-9.71,;1.93,-8.59,;.46,-9.01,;-1.07,-9.17,;-1.71,-7.76,;-.56,-6.74,;-.53,-5.21,;.78,-4.45,;2.12,-5.21,;2.12,-6.74,;.78,-7.51,;.04,-10.51,;1.16,-11.59,;6.3,-12.93,;7.83,-12.71,;8.91,-11.59,;8.53,-14.08,;10.06,-14.08,;11.18,-12.97,;12.65,-13.35,;13.73,-12.26,;15.23,-12.65,;16.32,-11.56,;15.65,-14.12,;7.45,-15.17,;6.07,-14.47,;4.7,-15.17,)|
Structure:
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