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Target
Prothrombin
Ligand
BDBM50120227
Substrate
n/a
Meas. Tech.
ChEBML_34097
IC50
19±n/a nM
Citation
 Iwanowicz, EJ; Kimball, SD; Lin, J; Lau, W; Han, WC; Wang, TC; Roberts, DG; Schumacher, WA; Ogletree, ML; Seiler, SM Retro-binding thrombin active site inhibitors: identification of an orally active inhibitor of thrombin catalytic activity. Bioorg Med Chem Lett 12:3183-6 (2002) [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:
BDBM50120227
Synonyms:
2-[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl)-propionylamino]-3-hydroxy-N-(2-hydroxy-1-phenyl-ethyl)-butyramide | CHEMBL108952
Type:
Small organic molecule
Emp. Form.:
C26H35N7O7
Mol. Mass.:
557.5988
SMILES:
CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(CO)c1ccccc1
Structure:
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