Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50337470 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_728384 (CHEMBL1685160) |
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Ki | 0.31±n/a nM |
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Citation | Isaacs, RC; Newton, CL; Cutrona, KJ; Mercer, SP; Dorsey, BD; McDonough, CM; Cook, JJ; Krueger, JA; Lewis, SD; Lucas, BJ; Lyle, EA; Lynch, JJ; Miller-Stein, C; Michener, MT; Wallace, AA; White, RB; Wong, BK P3 optimization of functional potency, in vivo efficacy and oral bioavailability in 3-aminopyrazinone thrombin inhibitors bearing non-charged groups at the P1 position. Bioorg Med Chem Lett21:1532-5 (2011) [PubMed] Article |
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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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BDBM50337470 |
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n/a |
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Name | BDBM50337470 |
Synonyms: | 2-(2-(5-chloro-4-(2-(5-chloro-2-(2,2,2-trifluoroethoxy)benzylamino)-2-oxoethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)ethyl)pyridine 1-oxide | CHEMBL1682765 |
Type | Small organic molecule |
Emp. Form. | C22H20Cl2F3N5O4 |
Mol. Mass. | 546.327 |
SMILES | [O-][n+]1ccccc1CCNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2OCC(F)(F)F)c1=O |
Structure |
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