Reaction Details |
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Target | Prothrombin |
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Ligand | BDBM50077044 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_208529 |
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Ki | 56.0±n/a nM |
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Citation | Ambler, J; Brown, L; Cockcroft, XL; Grütter, M; Hayler, J; Janus, D; Jones, D; Kane, P; Menear, K; Priestle, J; Smith, G; Talbot, M; Walker, CV; Wathey, B Optimisation of the P2 pharmacophore in a series of thrombin inhibitors: ion-dipole interactions with lysine 60G. Bioorg Med Chem Lett9:1317-22 (1999) [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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BDBM50077044 |
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n/a |
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Name | BDBM50077044 |
Synonyms: | (2-{1-[(S)-3-Benzothiazol-2-yl-2-(3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-propionyl]-piperidin-4-yl}-ethyl)-carbamic acid methyl ester | CHEMBL28071 |
Type | Small organic molecule |
Emp. Form. | C30H39N5O5S2 |
Mol. Mass. | 613.791 |
SMILES | COC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12 |
Structure |
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