Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50039011 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_208860 (CHEMBL810934) |
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IC50 | 57100±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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BDBM50039011 |
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n/a |
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Name | BDBM50039011 |
Synonyms: | (S)-2-{(S)-2-[(S)-2-(5-Amino-pentanoylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-phenyl-propionic acid methyl ester | CHEMBL417058 |
Type | Small organic molecule |
Emp. Form. | C30H42N4O5 |
Mol. Mass. | 538.6783 |
SMILES | COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN |
Structure |
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