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Target
Prothrombin
Ligand
BDBM50076017
Substrate
n/a
Meas. Tech.
ChEMBL_207975 (CHEMBL815802)
IC50
<1±n/a nM
Citation
 Plummer, JS; Berryman, KA; Cai, C; Cody, WL; DiMaio, J; Doherty, AM; Eaton, S; Edmunds, JJ; Holland, DR; Lafleur, D; Levesque, S; Narasimhan, LS; Rubin, JR; Rapundalo, ST; Siddiqui, MA; Susser, A; St-Denis, Y; Winocour, P Potent and selective bicyclic lactam inhibitors of thrombin: Part 3: P1' modifications. Bioorg Med Chem Lett 9:835-40 (1999) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50076017
Synonyms:
(6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-2-benzothiazol-2-yl-1-(1-carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-ethyl]-amide | CHEMBL433911
Type:
Small organic molecule
Emp. Form.:
C33H39N7O4S
Mol. Mass.:
629.772
SMILES:
NC(=N)N1CCCC(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)C(=O)c2nc3ccccc3s2)C1
Structure:
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