Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50114530 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_48311 |
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Ki | 650±n/a nM |
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Citation | Czekaj, M; Klein, SI; Guertin, KR; Gardner, CJ; Zulli, AL; Pauls, HW; Spada, AP; Cheney, DL; Brown, KD; Colussi, DJ; Chu, V; Leadley, RJ; Dunwiddie, CT Optimization of the beta-aminoester class of factor Xa inhibitors. Part 1: P(4) and side-chain modifications for improved in vitro potency. Bioorg Med Chem Lett12:1667-70 (2002) [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 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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BDBM50114530 |
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n/a |
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Name | BDBM50114530 |
Synonyms: | (2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-4-cyclohexyl-butyric acid methyl ester | CHEMBL45106 |
Type | Small organic molecule |
Emp. Form. | C33H40N4O3 |
Mol. Mass. | 540.6957 |
SMILES | COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1cccc(CN)c1 |
Structure |
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