Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProthrombin
LigandBDBM50312658
Substrate/Competitorn/a
Meas. Tech.ChEMBL_617811 (CHEMBL1100517)
Ki 11±n/a nM
Citation Lu, TMarkotan, TBallentine, SKGiardino, ECSpurlino, JCrysler, CSBrown, KMaryanoff, BETomczuk, BEDamiano, BPShukla, UEnd, DAndrade-Gordon, PBone, RFPlayer, MR Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem53:1843-56 (2010) [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:
BDBM50312658
n/a
NameBDBM50312658
Synonyms:1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-(4-methoxyphenethylamino)pyrazinone | CHEMBL1083191
TypeSmall organic molecule
Emp. Form.C19H27N7O4
Mol. Mass.417.4622
SMILES[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2ncc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c2=O)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: