Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProthrombin
LigandBDBM50293383
Substrate/Competitorn/a
Meas. Tech.ChEMBL_572139 (CHEMBL1023377)
IC50 790±n/a nM
Citation Ayral, EGloanec, PBergé, Gde Nanteuil, GMennecier, PRupin, AVerbeuren, TJFulcrand, PMartinez, JHernandez, JF Design, synthesis, and biological evaluation of 1,5-benzothiazepine-4-one derivatives targeting factor VIIa/tissue factor. Bioorg Med Chem Lett19:1386-91 (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:
BDBM50293383
n/a
NameBDBM50293383
Synonyms:2-[(3S)-3-[Benzylsulfonylamino]-7-(3-nitrophenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-{4-[amino(imino)methyl]benzyl}-acetamide, trifluoroacetate | CHEMBL558349
TypeSmall organic molecule
Emp. Form.C32H30N6O6S2
Mol. Mass.658.747
SMILESNC(=N)c1ccc(CNC(=O)CN2c3cc(ccc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)-c2cccc(c2)[N+]([O-])=O)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: