Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50392025 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1823877 (CHEMBL4323641) |
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Ki | 0.630000±n/a nM |
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Citation | Sandner, A; Hüfner-Wulsdorf, T; Heine, A; Steinmetzer, T; Klebe, G Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J Med Chem62:9753-9771 (2019) [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 |
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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BDBM50392025 |
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n/a |
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Name | BDBM50392025 |
Synonyms: | CHEMBL2152426 |
Type | Small organic molecule |
Emp. Form. | C22H27ClN4O4S |
Mol. Mass. | 478.992 |
SMILES | NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccccc1 |r| |
Structure |
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