Reaction Details  Report a problem with these data
Target
Prothrombin
Ligand
BDBM50499241
Substrate
n/a
Meas. Tech.
ChEMBL_1540265 (CHEMBL3739096)
Ki
>1000000±n/a nM
Citation
 Xu, P; Xu, M; Jiang, L; Yang, Q; Luo, Z; Dauter, Z; Huang, M; Andreasen, PA Design of Specific Serine Protease Inhibitors Based on a Versatile Peptide Scaffold: Conversion of a Urokinase Inhibitor to a Plasma Kallikrein Inhibitor. J Med Chem 58:8868-76 (2015) [PubMed]  Article
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Cf2 | Coagulation factor II | F2 | Prothrombin | THRB_MOUSE | Thrombin | Thrombin heavy chain | Thrombin light chain
Type:
PROTEIN
Mol. Mass.:
70266.93
Organism:
Mus musculus
Description:
ChEMBL_452530
Residue:
618
Sequence:
MSHVRGLGLPGCLALAALVSLVHSQHVFLAPQQALSLLQRVRRANSGFLEELRKGNLERECVEEQCSYEEAFEALESPQDTDVFWAKYTVCDSVRKPRETFMDCLEGRCAMDLGVNYLGTVNVTHTGIQCQLWRSRYPHKPEINSTTHPGADLKENFCRNPDSSTTGPWCYTTDPTVRREECSVPVCGQEGRTTVVMTPRSGGSKDNLSPPLGQCLTERGRLYQGNLAVTTLGSPCLPWNSLPAKTLSKYQDFDPEVKLVENFCRNPDWDEEGAWCYVAGQPGDFEYCNLNYCEEAVGEENYDVDESIAGRTTDAEFHTFFNEKTFGLGEADCGLRPLFEKKSLKDTTEKELLDSYIDGRIVEGWDAEKGIAPWQVMLFRKSPQELLCGASLISDRWVLTAAHCILYPPWDKNFTENDLLVRIGKHSRTRYERNVEKISMLEKIYVHPRYNWRENLDRDIALLKLKKPVPFSDYIHPVCLPDKQTVTSLLRAGYKGRVTGWGNLRETWTTNINEIQPSVLQVVNLPIVERPVCKASTRIRITDNMFCAGFKVNDTKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRKGKYGFYTHVFRLKRWIQKVIDQFG
  
Inhibitor
Name:
BDBM50499241
Synonyms:
CHEMBL3735513
Type:
Small organic molecule
Emp. Form.:
C56H84N16O11S2
Mol. Mass.:
1221.497
SMILES:
[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: