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Reaction Details
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TargetProthrombin
LigandBDBM50071729
Substrate/Competitorn/a
Meas. Tech.ChEBML_208312
Ki 3.1±n/a nM
Citation Lee, KJung, WHPark, CWHong, CYKim, ICKim, SOh, YSKwon, OHLee, SHPark, HDKim, SWLee, YHYoo, YJ Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Bioorg Med Chem Lett8:2563-8 (1999) [PubMed]
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:
BDBM50071729
n/a
NameBDBM50071729
Synonyms:CHEMBL313826 | Naphthalene-2-sulfonic acid [(S)-1-(4-aminomethyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-amide
TypeSmall organic molecule
Emp. Form.C25H29N3O3S
Mol. Mass.451.581
SMILESNCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: