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Target
Thrombin
Ligand
BDBM50432209
Substrate
n/a
Meas. Tech.
ChEMBL_1629275 (CHEMBL3871901)
IC50
554±n/a nM
Citation
 Chen, D; Shi, J; Liu, J; Zhang, X; Deng, X; Yang, Y; Cui, S; Zhu, Q; Gong, G; Xu, Y Design, synthesis and antithrombotic evaluation of novel non-peptide thrombin inhibitors. Bioorg Med Chem 25:458-470 (2017) [PubMed]  Article 
Target
Name:
Thrombin
Synonyms:
Thrombin
Type:
PROTEIN
Mol. Mass.:
27104.73
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_104556
Residue:
235
Sequence:
QELLCAASLISDRWVLTAAHCLLYPPWDKNFTVNDILVRIGKYARSRYERNMEKISTLEKIIIHPGYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDKQIVTSLLQAGHKGRVTGWGNLKEMWTVNMNEVQPSVLQMVNLPLVERPICKASTGIRVTDNMFCAGYKPEEGKRGDACEGDSGGPFVMKNPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIRKMVDRFG
  
Inhibitor
Name:
BDBM50432209
Synonyms:
BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILATE | Pradaxa
Type:
Small organic molecule
Emp. Form.:
C34H41N7O5
Mol. Mass.:
627.7332
SMILES:
CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 |w:9.8|
Structure:
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