| Reaction Details |
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 | Report a problem with these data |
| Target | Prothrombin |
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| Ligand | BDBM50113854 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_210588 (CHEMBL817554) |
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| Ki | 1300±n/a nM |
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| Citation |  Cozzini, P; Fornabaio, M; Marabotti, A; Abraham, DJ; Kellogg, GE; Mozzarelli, A Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. J Med Chem45:2469-83 (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 |
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| Synonyms: | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain |
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| Type: | Enzyme |
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| Mol. Mass.: | 70502.73 |
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| Organism: | Bos taurus (Bovine) |
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| Description: | P00735 |
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| Residue: | 625 |
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| Sequence: | MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERE
CLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGN
VSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRRE
ECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSS
EQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDL
GDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFE
SYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNF
TVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDY
IHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCK
ASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRD
GKYGFYTHVFRLKKWIQKVIDRLGS
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| BDBM50113854 |
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| n/a |
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| Name | BDBM50113854 |
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| Synonyms: | 4-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylamino)-propyl]-benzamidine |
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| Type | Small organic molecule |
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| Emp. Form. | C22H29N4O3S |
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| Mol. Mass. | 429.555 |
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| SMILES | Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C(N)=[NH2+])C(=O)N1CCCCC1 |
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| Structure | 
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