Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM50077496
Substrate
n/a
Meas. Tech.
ChEMBL_41605 (CHEMBL650558)
IC50
4570.88±n/a nM
Citation
 Finch, AM; Wong, AK; Paczkowski, NJ; Wadi, SK; Craik, DJ; Fairlie, DP; Taylor, SM Low-molecular-weight peptidic and cyclic antagonists of the receptor for the complement factor C5a. J Med Chem 42:1965-74 (1999) [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:
BDBM50077496
Synonyms:
2-[2-(2-{[1-(6-Amino-2-{2-[6-amino-2-(2-amino-3-phenyl-propionylamino)-hexanoylamino]-3-phenyl-propionylamino}-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-3-cyclohexyl-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid | CHEMBL2373321
Type:
Small organic molecule
Emp. Form.:
C48H69N11O8
Mol. Mass.:
928.1304
SMILES:
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:42.44,4.3,wD:27.29,15.15,31.32,56.60,(-.93,-5.53,;.4,-4.76,;.4,-3.22,;1.73,-5.54,;3.06,-4.77,;3.06,-3.23,;4.39,-2.46,;5.72,-3.23,;7.05,-2.46,;7.05,-.92,;5.72,-.15,;4.39,-.92,;4.39,-5.54,;4.39,-7.08,;5.72,-4.77,;6.49,-6.1,;5.72,-7.43,;6.49,-8.76,;5.72,-10.09,;6.49,-11.43,;5.72,-12.76,;7.82,-6.87,;7.82,-8.41,;9.15,-6.1,;9.54,-4.6,;11.08,-4.53,;11.64,-5.96,;10.44,-6.94,;11.77,-7.71,;13.1,-6.94,;11.77,-9.25,;13.1,-10.02,;14.4,-9.17,;15.76,-9.87,;16.13,-11.37,;16.71,-10.25,;18.37,-9.53,;18.01,-8.03,;17.37,-9.2,;13.86,-11.34,;15.4,-11.34,;13.07,-12.67,;14.17,-13.75,;15.66,-13.35,;16.76,-14.45,;16.34,-15.94,;17.9,-16.69,;18.98,-15.59,;20.53,-15.69,;21.38,-14.4,;20.68,-13,;19.13,-12.93,;18.29,-14.22,;13.77,-15.24,;12.56,-15.57,;14.85,-16.34,;14.45,-17.83,;15.98,-18,;16.61,-19.4,;18.14,-19.56,;18.77,-20.98,;20.3,-21.14,;21.19,-19.89,;20.91,-22.55,;13.54,-19.07,;14.17,-20.49,;12.02,-18.91,)|
Structure:
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