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Target
Prothrombin
Ligand
BDBM50107058
Substrate
n/a
Meas. Tech.
ChEBML_225578
Ki
>10000±n/a nM
Citation
 Lévesque, S; St-Denis, Y; Bachand, B; Préville, P; Leblond, L; Winocour, PD; Edmunds, JJ; Rubin, JR; Siddiqui, MA Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues. Bioorg Med Chem Lett 11:3161-4 (2001) [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:
BDBM50107058
Synonyms:
(6S,8aS)-4-Oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid 4-(N-hydroxycarbamimidoyl)-benzylamide | CHEMBL110510
Type:
Small organic molecule
Emp. Form.:
C23H27N5O5S
Mol. Mass.:
485.556
SMILES:
ONC(=N)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)cc1
Structure:
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