Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50531926
Substrate
n/a
Meas. Tech.
ChEMBL_1921550 (CHEMBL4424395)
Ki
>25000±n/a nM
Citation
 Wang, D; Yang, Y; Jiang, L; Wang, Y; Li, J; Andreasen, PA; Chen, Z; Huang, M; Xu, P Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides. J Med Chem 62:2172-2183 (2019) [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:
BDBM50531926
Synonyms:
CHEMBL4550668
Type:
Small organic molecule
Emp. Form.:
C51H74N14O14S2
Mol. Mass.:
1171.349
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(N)=O)NC(C)=O |r|
Structure:
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