Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50120224 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_34097 |
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IC50 | 72±n/a nM |
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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 Lett12:3183-6 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Prothrombin |
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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: | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
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BDBM50120224 |
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n/a |
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Name | BDBM50120224 |
Synonyms: | (S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl)-propionylamino]-3-hydroxy-N-((S)-1-phenyl-ethyl)-butyramide | CHEMBL320351 | CHEMBL320707 |
Type | Small organic molecule |
Emp. Form. | C26H35N7O6 |
Mol. Mass. | 541.5994 |
SMILES | CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1 |
Structure |
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