Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThrombin and coagulation factor X
LigandBDBM50377612
Substrate/Competitorn/a
Meas. Tech.ChEMBL_479759
Ki 11±n/a nM
Citation Kreutter KDLu TLee LGiardino ECPatel SHuang HXu GFitzgerald MHaertlein BJMohan VCrysler CEisennagel SDasgupta MMcMillan MSpurlino JCHuebert NDMaryanoff BETomczuk BEDamiano BPPlayer MR Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett 18:2865-70 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thrombin and coagulation factor X
Name:Thrombin and coagulation factor X
Synonyms:Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | Prothrombin precursor | 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:
BDBM50377612
n/a
NameBDBM50377612
Synonyms:CHEMBL255916
TypeSmall organic molecule
Emp. Form.C22H19F3N6O
Mol. Mass.440.4211
SMILESNc1ccc(CNC(=O)Cc2c(F)c(NCC(F)(F)c3ccccn3)ccc2C#N)cn1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: