Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThrombin and coagulation factor X
LigandBDBM50113791
Substrate/Competitorn/a
Meas. Tech.ChEMBL_208531
Ki 0.8±n/a nM
Citation Danilewicz JCAbel SMBrown ADFish PVHawkeswood EHolland SJJames KMcElroy ABOverington JPowling MJRance DJ Design of selective thrombin inhibitors based on the (R)-Phe-Pro-Arg sequence. J Med Chem 45:2432-53 (2002) [PubMed]
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:
BDBM50113791
n/a
NameBDBM50113791
Synonyms:CHEMBL84229 | S-4-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]-piperidin-1-yl}-3-(cyclohept-4-enyl-methyl-amino)-4-oxo-butyric acid
TypeSmall organic molecule
Emp. Form.C25H43N5O4
Mol. Mass.477.64
SMILESCN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCC=CCC1 |c:32|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: