Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50228863 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_208530 (CHEMBL813624) |
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Ki | 7±n/a nM |
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Citation | Iwanowicz, EJ; Kimball, SD; Lin, J; Lau, W; Han, WC; Wang, TC; Roberts, DG; Schumacher, WA; Ogletree, ML; Seiler, SM Retro-binding thrombin active site inhibitors: identification of an orally active inhibitor of thrombin catalytic activity. Bioorg Med Chem Lett12:3183-6 (2002) [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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BDBM50228863 |
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n/a |
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Name | BDBM50228863 |
Synonyms: | (S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide | 1-(2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide | 5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]-1-[2-methylamino-3-phenyl-(2R)-propanoyl]-(5S)-dihydro-1H-5-pyrrolecarboxamide | CHEMBL273196 | Me-(D-Phe)-Pro-Arg-CHO |
Type | Small organic molecule |
Emp. Form. | C21H32N6O3 |
Mol. Mass. | 416.5172 |
SMILES | [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |
Structure |
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