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Target
Prothrombin
Ligand
BDBM50547836
Substrate
n/a
Meas. Tech.
ChEMBL_2019115 (CHEMBL4672693)
IC50
10.0±n/a nM
Citation
 Hillisch, A; Gericke, KM; Allerheiligen, S; Roehrig, S; Schaefer, M; Tersteegen, A; Schulz, S; Lienau, P; Gnoth, M; Puetter, V; Hillig, RC; Heitmeier, S Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J Med Chem 63:12574-12594 (2020) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activated blood-coagulation factor II | Activation peptide fragment 1 | Activation peptide fragment 2 | Beta-thrombin | Blood-coagulation factor IIa | Coagulation factor II | E thrombin | F2 | Factor IIa | Fibrinogenase | Gamma-thrombin | Prothrombin | THRB_RAT | Thrombase | Thrombin | Thrombin heavy chain | Thrombin light chain | Thrombin-C | Thrombofort | Tropostasin
Type:
Protein
Mol. Mass.:
70413.05
Organism:
Rattus norvegicus
Description:
P18292
Residue:
617
Sequence:
MLHVRGLGLPGCLALAALASLVHSQHVFLAPQQALSLLQRVRRANSGFLEELRKGNLERECVEEQCSYEEAFEALESPQDTDVFWAKYTVCDSVRKPRETFMDCLEGRCAMDLGLNYHGNVSVTHTGIECQLWRSRYPHRPDINSTTHPGADLKENFCRNPDSSTSGPWCYTTDPTVRREECSIPVCGQEGRTTVKMTPRSRGSKENLSPPLGECLLERGRLYQGNLAVTTLGSPCLAWDSLPTKTLSKYQNFDPEVKLVQNFCRNPDRDEEGAWCFVAQQPGFEYCSLNYCDEAVGEENHDGDESIAGRTTDAEFHTFFDERTFGLGEADCGLRPLFEKKSLTDKTEKELLDSYIDGRIVEGWDAEKGIAPWQVMLFRKSPQELLCGASLISDRWVLTAAHCILYPPWDKNFTENDLLVRIGKHSRTRYERNVEKISMLEKIYIHPRYNWRENLDRDIALLKLKKPVPFSDYIHPVCLPDKQTVTSLLQAGYKGRVTGWGNLRETWTTNINEIQPSVLQVVNLPIVERPVCKASTRIRITDNMFCAGFKVNDTKRGDACEGDSGGPFVMKSPYNHRWYQMGIVSWGEGCDRNGKYGFYTHVFRLKRWMQKVIDQHR
  
Inhibitor
Name:
BDBM50547836
Synonyms:
CHEMBL4763593
Type:
Small organic molecule
Emp. Form.:
C24H27ClFN3O5
Mol. Mass.:
491.94
SMILES:
COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1CCO |r|
Structure:
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