| Reaction Details |
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 | Report a problem with these data |
| Target | Prothrombin |
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| Ligand | BDBM50301572 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_600518 (CHEMBL1049043) |
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| IC50 | 3.4±n/a nM |
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| Citation |  Hanessian, S; Therrien, E; Zhang, J; Otterlo, W; Xue, Y; Gustafsson, D; Nilsson, I; Fjellström, O From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs. Bioorg Med Chem Lett19:5429-32 (2009) [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 |
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| Synonyms: | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain |
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| Type: | Protein |
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| Mol. Mass.: | 70029.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00734 |
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| Residue: | 622 |
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| Sequence: | MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
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| BDBM50301572 |
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| n/a |
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| Name | BDBM50301572 |
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| Synonyms: | (2S,3aS,7aS)-N-(4-carbamimidoylbenzyl)-1-((R)-3,3-dicyclohexyl-2-((R)-2-hydroxy-3-phenylpropanamido)propanoyl)octahydro-1H-indole-2-carboxamide | CHEMBL567464 |
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| Type | Small organic molecule |
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| Emp. Form. | C41H57N5O4 |
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| Mol. Mass. | 683.9224 |
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| SMILES | NC(=N)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](NC(=O)[C@H](O)Cc2ccccc2)C(C2CCCCC2)C2CCCCC2)cc1 |r| |
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| Structure | 
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