Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThrombin and coagulation factor X
LigandBDBM50107477
Substrate/Competitorn/a
Meas. Tech.ChEBML_207982
IC50 3500±n/a nM
Citation Das JKimball SDHall SEHan WCIwanowicz ELin JMoquin RVReid JASack JSMalley MFChang CYChong SWang-Iverson DBRoberts DGSeiler SMSchumacher WAOgletree ML Molecular design and structure--activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Bioorg Med Chem Lett 12:45-9 (2001) [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:
BDBM50107477
n/a
NameBDBM50107477
Synonyms:(S)-1-[(2R,3R)-3-Methoxy-2-(naphthalene-2-sulfonylamino)-butyryl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide | CHEMBL421944
TypeSmall organic molecule
Emp. Form.C25H36N6O5S
Mol. Mass.532.656
SMILESCO[C@H](C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: