Target
Prothrombin
Ligand
BDBM50107067
Substrate
n/a
Meas. Tech.
ChEBML_225578
Ki
100±n/a nM
Citation
 Lévesque, SSt-Denis, YBachand, BPréville, PLeblond, LWinocour, PDEdmunds, JJRubin, JRSiddiqui, 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:
BDBM50107067
Synonyms:
(S)-4-Oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid (4-amino-cyclohexylmethyl)-amide | CHEMBL106988
Type:
Small organic molecule
Emp. Form.:
C22H32N4O4S
Mol. Mass.:
448.579
SMILES:
N[C@H]1CC[C@H](CNC(=O)C2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)Cc2ccccc2)CC1 |wU:1.0,wD:12.19,4.4,(11.82,-10.59,;12.85,-9.45,;12.38,-7.98,;13.41,-6.84,;14.9,-7.16,;15.93,-5.99,;15.44,-4.54,;13.94,-4.22,;12.92,-5.38,;13.45,-2.76,;14.34,-1.5,;13.43,-.27,;11.98,-.75,;10.65,.02,;9.31,-.76,;9.31,-2.3,;10.65,-3.06,;10.65,-4.61,;11.98,-2.29,;7.98,,;8.73,1.35,;7.19,-1.33,;6.63,.77,;5.29,,;5.29,-1.52,;3.98,-2.3,;2.63,-1.53,;2.63,.02,;3.96,.8,;15.39,-8.61,;14.37,-9.77,)|
Structure:
Search PDB for entries with ligand similarity: