Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50039012 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_208860 (CHEMBL810934) |
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IC50 | 100000±n/a nM |
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Citation | Iwanowicz, EJ; Lau, WF; Lin, J; Roberts, DG; Seiler, SM Retro-binding tripeptide thrombin active-site inhibitors: discovery, synthesis, and molecular modeling. J Med Chem37:2122-4 (1994) [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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BDBM50039012 |
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n/a |
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Name | BDBM50039012 |
Synonyms: | (S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((S)-1-hydroxymethyl-2-phenyl-ethyl)-amide | CHEMBL304753 |
Type | Small organic molecule |
Emp. Form. | C29H42N4O4 |
Mol. Mass. | 510.6682 |
SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(=O)N[C@H](CO)Cc1ccccc1 |
Structure |
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