Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM13896 |
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Substrate/Competitor | BDBM13573 |
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Meas. Tech. | Thrombin Inhibition Assay |
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Ki | 15800±n/a nM |
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Citation | Matter, H; Defossa, E; Heinelt, U; Blohm, PM; Schneider, D; Muller, A; Herok, S; Schreuder, H; Liesum, A; Brachvogel, V; Lonze, P; Walser, A; Al-Obeidi, F; Wildgoose, P Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa. J Med Chem45:2749-69 (2002) [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 |
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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BDBM13896 |
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BDBM13573 |
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Name | BDBM13896 |
Synonyms: | 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-chloro-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium | 3-amidinobenzylindole carboxamide 81 |
Type | Small organic molecule |
Emp. Form. | C27H29ClN5O |
Mol. Mass. | 475.005 |
SMILES | C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(c2)C(N)=N)cc1 |
Structure |
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