Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM50077497
Substrate
n/a
Meas. Tech.
ChEMBL_41605 (CHEMBL650558)
IC50
3548.13±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:
BDBM50077497
Synonyms:
(R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-cyclohexyl-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid | CHEMBL2373525
Type:
Small organic molecule
Emp. Form.:
C47H67N11O8
Mol. Mass.:
914.1038
SMILES:
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)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:15.15,41.43,4.3,wD:26.28,30.31,55.59,(2.04,-11.41,;1.75,-9.5,;-.02,-8.8,;3.26,-8.31,;2.97,-6.41,;1.18,-5.71,;.91,-3.8,;2.4,-2.62,;2.12,-.71,;.31,,;-1.17,-1.2,;-.9,-3.09,;4.47,-5.22,;6.26,-5.9,;4.64,-3.3,;6.4,-2.47,;6.56,-.56,;8.32,.27,;8.48,2.18,;10.24,3.01,;7.98,-3.59,;7.78,-5.22,;9.4,-3.04,;9.78,-1.57,;11.32,-1.48,;11.87,-2.9,;10.67,-3.87,;11.99,-4.62,;13.29,-3.87,;11.99,-6.14,;13.29,-6.91,;14.58,-6.06,;15.93,-6.76,;17.52,-6.11,;18.15,-4.94,;18.52,-6.44,;16.88,-7.15,;16.3,-8.23,;14.04,-8.21,;15.58,-8.21,;13.29,-9.53,;14.36,-10.6,;15.83,-10.22,;16.93,-11.3,;16.5,-12.77,;18.05,-13.5,;19.12,-12.42,;20.64,-12.52,;21.49,-11.24,;20.79,-9.85,;19.27,-9.78,;18.42,-11.07,;13.96,-12.08,;12.77,-12.39,;15.03,-13.16,;14.63,-14.63,;16.15,-14.78,;16.78,-16.18,;18.3,-16.34,;18.89,-17.74,;20.41,-17.9,;21.31,-16.67,;21.04,-19.29,;13.74,-15.85,;14.36,-17.25,;12.24,-15.71,)|
Structure:
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