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Target
Prothrombin
Ligand
BDBM50087941
Substrate
n/a
Meas. Tech.
ChEMBL_208502 (CHEMBL879102)
Ki
10±n/a nM
Citation
 Supuran, CT; Scozzafava, A; Briganti, F; Clare, BW Protease inhibitors: synthesis and QSAR study of novel classes of nonbasic thrombin inhibitors incorporating sulfonylguanidine and O-methylsulfonylisourea moieties at P1. J Med Chem 43:1793-806 (2000) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50087941
Synonyms:
CHEMBL301811 | N-{4-[(N-Guanidino)-sulfamoyl]-phenyl}-3-(1H-imidazol-4-yl)-2-(3-(N-Toluene-4-sulfonyl)ureido-propionylamino)-propionamide
Type:
Small organic molecule
Emp. Form.:
C24H30N10O7S2
Mol. Mass.:
634.688
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(cc1)S(=O)(=O)NN=C(N)N |wD:19.19,(.88,-9.39,;2.14,-10.29,;3.55,-9.66,;4.81,-10.57,;4.65,-12.1,;3.26,-12.74,;1.99,-11.83,;5.93,-13.01,;5.02,-14.27,;6.85,-11.77,;7.15,-13.95,;7.56,-15.44,;6.47,-16.53,;9.09,-15.49,;9.81,-16.85,;11.35,-16.91,;12.07,-18.28,;11.38,-19.28,;13.61,-18.32,;14.33,-19.69,;13.49,-21.01,;12.01,-21.4,;10.8,-20.42,;9.5,-21.24,;9.89,-22.74,;11.42,-22.83,;15.87,-19.76,;16.68,-18.45,;16.59,-21.1,;18.12,-21.17,;18.94,-19.86,;20.46,-19.92,;21.18,-21.3,;20.38,-22.59,;18.85,-22.53,;22.71,-21.35,;22.71,-22.77,;22.71,-19.95,;24.12,-21.4,;24.81,-20.17,;26.23,-20.17,;26.92,-21.4,;26.92,-18.95,)|
Structure:
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