Target
Prothrombin
Ligand
BDBM50377613
Substrate
n/a
Meas. Tech.
ChEMBL_479759 (CHEMBL934691)
Ki
9±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 
Target
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:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50377613
Synonyms:
CHEMBL258225
Type:
Small organic molecule
Emp. Form.:
C20H22F3N7O2
Mol. Mass.:
449.4296
SMILES:
CN(OCCNC(=O)Cc1c(F)c(NCC(F)(F)c2ccccn2)ccc1C#N)C(N)=N
Structure:
Search PDB for entries with ligand similarity: