| Reaction Details |
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 | Report a problem with these data |
| Target | Prothrombin |
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| Ligand | BDBM50210428 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_455389 (CHEMBL886164) |
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| IC50 | 11±n/a nM |
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| Citation |  Hanessian, S; Ersmark, K; Wang, X; Del Valle, JR; Blomberg, N; Xue, Y; Fjellström, O Structure-based organic synthesis of unnatural aeruginosin hybrids as potent inhibitors of thrombin. Bioorg Med Chem Lett17:3480-5 (2007) [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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| BDBM50210428 |
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| n/a |
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| Name | BDBM50210428 |
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| Synonyms: | (2S,3aR,5S,6S,7aS)-1-{(S)-3-chloro-2-[(S)-3-hydroxy-2-((R)-methoxy)-propionylamino]-4-methyl-pentanoyl}-5,6-dihydroxy-octahydro-indole-2-carboxylic acid [2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)-ethyl]-amide | CHEMBL394402 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H43ClN6O7 |
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| Mol. Mass. | 587.109 |
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| SMILES | CO[C@H](CO)C(=O)N[C@H]([C@@H](Cl)C(C)C)C(=O)N1[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C[C@H]1C(=O)NCCC1=CCN(C1)C(N)=N |t:34| |
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| Structure | 
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