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TargetProthrombin
LigandBDBM50301570
Substrate/Competitorn/a
Meas. Tech.ChEMBL_600518 (CHEMBL1049043)
IC50 3960±n/a nM
Citation Hanessian, STherrien, EZhang, JOtterlo, WXue, YGustafsson, DNilsson, IFjellström, O From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs. Bioorg Med Chem Lett19:5429-32 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prothrombin
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50301570
n/a
NameBDBM50301570
Synonyms:CHEMBL567031 | N-(4-carbamimidoylbenzyl)-2-(4-methyl-2-oxo-1-(phenylmethylsulfonamido)-1,2-dihydropyridin-3-yl)acetamide
TypeSmall organic molecule
Emp. Form.C23H25N5O4S
Mol. Mass.467.541
SMILESCc1ccn(NS(=O)(=O)Cc2ccccc2)c(=O)c1CC(=O)NCc1ccc(cc1)C(N)=N
Structure
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