Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50080916 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_208527 (CHEMBL873984) |
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Ki | 20±n/a nM |
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Citation | Cody, WL; Augelli-Szafran, CE; Berryman, KA; Cai, C; Doherty, AM; Edmunds, JJ; He, JX; Narasimhan, LS; Penvose-Yi, J; Plummer, JS; Rapundalo, ST; Rubin, JR; Van Huis, CA; Leblond, L; Winocour, PD; Siddiqui, MA The design of potent and selective inhibitors of thrombin utilizing a piperazinedione template: part 2. Bioorg Med Chem Lett9:2503-8 (1999) [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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BDBM50080916 |
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n/a |
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Name | BDBM50080916 |
Synonyms: | CHEMBL84084 | N-[(S)-1-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-2-[(R)-2-(3-chloro-benzyl)-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetamide |
Type | Small organic molecule |
Emp. Form. | C34H40ClN7O4S |
Mol. Mass. | 678.244 |
SMILES | NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3cccc(Cl)c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 |
Structure |
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