| Reaction Details |
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 | Report a problem with these data |
| Target | Prothrombin |
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| Ligand | BDBM50117680 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1515212 (CHEMBL3614559) |
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| Ki | 57±n/a nM |
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| Citation |  Pollock, J; Borkin, D; Lund, G; Purohit, T; Dyguda-Kazimierowicz, E; Grembecka, J; Cierpicki, T Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J Med Chem58:7465-74 (2015) [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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| BDBM50117680 |
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| n/a |
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| Name | BDBM50117680 |
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| Synonyms: | CHEMBL3613792 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23FN4O2 |
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| Mol. Mass. | 406.4527 |
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| SMILES | NC(=N)c1ccc(cc1)C1C2C(C3CCCN13)C(=O)N(Cc1ccc(F)cc1)C2=O |
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| Structure | 
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