Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM50008229
Substrate
n/a
Meas. Tech.
ChEBML_41471
Ki
600000±n/a nM
Citation
 Kawai, M; Quincy, DA; Lane, B; Mollison, KW; Or, YS; Luly, JR; Carter, GW Structure-function studies in a series of carboxyl-terminal octapeptide analogues of anaphylatoxin C5a. J Med Chem 35:220-3 (1992) [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:
BDBM50008229
Synonyms:
2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-3-cyclohexyl-propionylamino]-3-cyclohexyl-propionylamino}-pentanoylamino)-propionylamino]-5-guanidino-pentanoic acid | CHEMBL3350712
Type:
Small organic molecule
Emp. Form.:
C51H86N14O12
Mol. Mass.:
1087.3151
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:30.32,47.49,19.20,wD:8.8,4.3,66.69,61.64,(26.03,-14.93,;26,-13.39,;27.31,-12.59,;24.65,-12.65,;24.61,-11.11,;23.26,-10.37,;21.94,-11.17,;21.98,-12.71,;20.59,-10.43,;20.57,-8.89,;21.88,-8.09,;21.85,-6.55,;23.16,-5.74,;24.52,-6.49,;24.55,-8.03,;23.23,-8.83,;19.28,-11.22,;17.93,-10.48,;17.89,-8.95,;16.61,-11.28,;16.65,-12.82,;17.99,-13.56,;19.31,-12.76,;20.67,-13.5,;20.7,-15.05,;19.37,-15.85,;18.03,-15.11,;15.26,-10.54,;13.95,-11.34,;13.98,-12.87,;12.59,-10.59,;12.56,-9.06,;13.87,-8.26,;15.22,-9,;13.85,-6.72,;11.28,-11.39,;9.93,-10.65,;9.89,-9.11,;8.61,-11.45,;8.64,-13,;10,-13.74,;10.02,-15.28,;11.37,-16.02,;11.41,-17.56,;7.26,-10.71,;5.94,-11.5,;5.98,-13.05,;4.6,-10.76,;4.56,-9.23,;5.87,-8.43,;7.3,-9.02,;8.3,-7.85,;7.5,-6.54,;6,-6.89,;3.28,-11.57,;1.93,-10.82,;.61,-11.63,;1.89,-9.28,;25.92,-10.32,;25.9,-8.77,;27.27,-11.06,;28.6,-10.26,;28.56,-8.72,;29.94,-11,;29.98,-12.54,;31.27,-10.2,;32.62,-10.95,;32.64,-12.48,;33.99,-13.22,;34.03,-14.76,;35.38,-15.5,;35.41,-17.05,;36.76,-17.79,;34.1,-17.85,;33.93,-10.14,;35.28,-10.88,;33.9,-8.61,)|
Structure:
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