Reaction Details Report a problem with these data
Target
Proteinase-activated receptor 1
Ligand
BDBM50054870
Substrate
n/a
Meas. Tech.
ChEMBL_209251 (CHEMBL815692)
IC50
24±n/a nM
Citation
 Bernatowicz, MS; Klimas, CE; Hartl, KS; Peluso, M; Allegretto, NJ; Seiler, SM Development of potent thrombin receptor antagonist peptides. J Med Chem 39:4879-87 (1997) [PubMed]  Article 
Target
Name:
Proteinase-activated receptor 1
Synonyms:
CF2R | Coagulation factor II receptor | F2R | PAR-1 | PAR1 | PAR1_HUMAN | Proteinase activated receptor 1 | Proteinase-activated receptor 1 (PAR-1) | TR | Thrombin receptor | Thrombin receptor/ Proteinase-activated receptor 1(Par-1)
Type:
Protein
Mol. Mass.:
47450.07
Organism:
Homo sapiens (Human)
Description:
P25116
Residue:
425
Sequence:
MGPRRLLLVAACFSLCGPLLSARTRARRPESKATNATLDPRSFLLRNPNDKYEPFWEDEEKNESGLTEYRLVSINKSSPLQKQLPAFISEDASGYLTSSWLTLFVPSVYTGVFVVSLPLNIMAIVVFILKMKVKKPAVVYMLHLATADVLFVSVLPFKISYYFSGSDWQFGSELCRFVTAAFYCNMYASILLMTVISIDRFLAVVYPMQSLSWRTLGRASFTCLAIWALAIAGVVPLLLKEQTIQVPGLNITTCHDVLNETLLEGYYAYYFSAFSAVFFFVPLIISTVCYVSIIRCLSSSAVANRSKKSRALFLSAAVFCIFIICFGPTNVLLIAHYSFLSHTSTTEAAYFAYLLCVCVSSISCCIDPLIYYYASSECQRYVYSILCCKESSDPSSYNSSGQLMASKMDTCSSNLNNSIYKKLLT
  
Inhibitor
Name:
BDBM50054870
Synonyms:
1H-Indole-2-carboxylic acid [1-[1-[1-(1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(4-guanidino-phenyl)-ethylcarbamoyl]-2-(4-fluoro-phenyl)-ethyl]-amide | CHEMBL407822
Type:
Small organic molecule
Emp. Form.:
C40H51FN12O5
Mol. Mass.:
798.9087
SMILES:
CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CCCNC(N)=N)C(N)=O |(8.25,-8.7,;9.02,-7.37,;8.25,-6.04,;10.56,-7.37,;11.33,-8.7,;12.87,-8.7,;13.66,-7.37,;12.87,-6.04,;15.2,-7.37,;15.97,-6.04,;17.53,-6.04,;18.3,-7.37,;19.84,-7.37,;20.61,-6.04,;19.84,-4.69,;18.3,-4.69,;22.15,-6.04,;22.92,-7.37,;24.46,-7.37,;22.15,-8.7,;15.97,-8.7,;15.2,-10.04,;13.66,-10.04,;15.97,-11.39,;17.53,-11.39,;18.84,-12.3,;18.84,-13.84,;20.17,-14.61,;21.52,-13.84,;22.84,-14.61,;21.52,-12.3,;20.17,-11.53,;15.2,-12.72,;15.97,-14.06,;17.53,-14.06,;15.2,-15.4,;15.82,-16.78,;14.69,-17.84,;14.69,-19.38,;13.35,-20.15,;12,-19.38,;12,-17.84,;13.35,-17.07,;13.66,-15.56,;10.56,-10.04,;11.33,-11.39,;9.02,-10.04,;8.25,-11.39,;6.71,-11.39,;5.94,-10.04,;4.39,-10.04,;3.63,-8.7,;2.08,-8.7,;1.31,-10.04,;1.31,-7.37,;9.02,-12.72,;10.56,-12.72,;8.25,-14.06,)|
Structure:
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