Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50337474 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_728395 (CHEMBL1685171) |
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Ki | 0.93±n/a nM |
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Citation | Isaacs, RC; Newton, CL; Cutrona, KJ; Mercer, SP; Payne, LS; Stauffer, KJ; Williams, PD; Cook, JJ; Krueger, JA; Lewis, SD; Lucas, BJ; Lyle, EA; Lynch, JJ; McMasters, DR; Naylor-Olsen, AM; Michener, MT; Wallace, AA Design, synthesis and SAR of a series of 1,3,5-trisubstituted benzenes as thrombin inhibitors. Bioorg Med Chem Lett21:1536-40 (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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BDBM50337474 |
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n/a |
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Name | BDBM50337474 |
Synonyms: | CHEMBL1682786 | N-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-3-(N-cyclohexylmethylsulfonamido)-5-methylbenzamide |
Type | Small organic molecule |
Emp. Form. | C23H27ClN6O3S |
Mol. Mass. | 503.017 |
SMILES | Cc1cc(cc(c1)C(=O)NCc1cc(Cl)ccc1-n1cnnn1)N(C1CCCCC1)S(C)(=O)=O |
Structure |
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