Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM50290478
Substrate
n/a
Meas. Tech.
ChEBML_41457
IC50
5000±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:
BDBM50290478
Synonyms:
5-[3-amino(imino)methylaminopropyl]-3-[1-(4-cyclohexylcyclohexylmethyl)-2-oxo-2-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-yl-(1R)-ethyl]-(5R)-tetrahydro-1H-2,4-imidazoledione | CHEMBL71506
Type:
Small organic molecule
Emp. Form.:
C35H52N6O3
Mol. Mass.:
604.8258
SMILES:
NC(=N)NCCCc1[nH]c(=O)n([C@H](CC2CCC(CC2)C2CCCCC2)C(=O)N2CCC3(CCc4ccccc34)CC2)c1O |wU:12.11,(22.26,-19.45,;21.84,-17.95,;22.93,-16.87,;20.38,-17.57,;19.26,-18.68,;17.79,-18.29,;16.71,-19.39,;15.18,-19.39,;14.07,-20.47,;12.7,-19.77,;11.36,-20.47,;12.95,-18.26,;11.83,-17.18,;12.25,-15.69,;12.22,-14.15,;13.56,-13.36,;13.56,-11.82,;12.22,-11.06,;10.88,-11.83,;10.88,-13.39,;12.22,-9.51,;13.56,-8.74,;13.56,-7.21,;12.22,-6.45,;10.91,-7.21,;10.91,-8.76,;10.37,-17.57,;9.99,-19.07,;9.28,-16.49,;9.67,-15.02,;8.58,-13.94,;7.09,-14.34,;5.56,-14.5,;4.95,-13.1,;6.1,-12.06,;6.1,-10.53,;7.4,-9.78,;8.74,-10.53,;8.74,-12.08,;7.4,-12.82,;6.7,-15.82,;7.79,-16.9,;14.45,-18.02,;15.15,-16.65,)|
Structure:
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