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Target
Prothrombin
Ligand
BDBM50442068
Substrate
n/a
Meas. Tech.
ChEMBL_992750 (CHEMBL2443899)
Ki
6.0±n/a nM
Citation
 de Candia, M; Fiorella, F; Lopopolo, G; Carotti, A; Romano, MR; Lograno, MD; Martel, S; Carrupt, PA; Belviso, BD; Caliandro, R; Altomare, C Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem 56:8696-711 (2013) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain
Type:
Enzyme
Mol. Mass.:
70502.73
Organism:
Bos taurus (Bovine)
Description:
P00735
Residue:
625
Sequence:
MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS
  
Inhibitor
Name:
BDBM50442068
Synonyms:
CHEMBL2441057
Type:
Small organic molecule
Emp. Form.:
C24H24FN3O2
Mol. Mass.:
405.4647
SMILES:
Fc1cccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)c1
Structure:
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