| Reaction Details |
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 | Report a problem with these data |
| Target | Prothrombin |
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| Ligand | BDBM13642 |
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| Substrate/Competitor | BDBM13573 |
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| Meas. Tech. | Thrombin Inhibition Assay |
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| Ki | 4866±n/a nM |
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| Citation |  Matter, H; Will, DW; Nazare, M; Schreuder, H; Laux, V; Wehner, V Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions. J Med Chem48:3290-312 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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 precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain |
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| Type: | Protein |
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| Mol. Mass.: | 70029.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00734 |
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| Residue: | 622 |
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| Sequence: | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
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| BDBM13642 |
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| BDBM13573 |
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| Name | BDBM13642 |
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| Synonyms: | 3-Oxybenzamide 28 | 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methyl-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide |
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| Type | Small organic molecule |
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| Emp. Form. | C27H29Cl2N3O2 |
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| Mol. Mass. | 498.444 |
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| SMILES | Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1 |
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| Structure | 
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