Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50098236 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_210587 (CHEMBL817553) |
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Ki | 1.5±n/a nM |
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Citation | Pierce, AC; Jorgensen, WL Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations. J Med Chem44:1043-50 (2001) [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 | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain |
Type: | Enzyme |
Mol. Mass.: | 70502.73 |
Organism: | Bos taurus (Bovine) |
Description: | P00735 |
Residue: | 625 |
Sequence: | MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERE
CLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGN
VSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRRE
ECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSS
EQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDL
GDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFE
SYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNF
TVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDY
IHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCK
ASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRD
GKYGFYTHVFRLKKWIQKVIDRLGS
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BDBM50098236 |
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n/a |
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Name | BDBM50098236 |
Synonyms: | CHEMBL9415 | Naphthalene-2-sulfonic acid {1-[4-(amino-hydrazino-methyl)-benzyl]-2-azepan-1-yl-2-oxo-ethyl}-amide |
Type | Small organic molecule |
Emp. Form. | C26H33N5O3S |
Mol. Mass. | 495.637 |
SMILES | NNC(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 |
Structure |
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