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Target
Prothrombin
Ligand
BDBM12969
Substrate
BDBM12947
Meas. Tech.
Enzyme Inhibition Assay
IC50
5600±n/a nM
Citation
 Lin, J; Deng, H; Jin, L; Pandey, P; Quinn, J; Cantin, S; Rynkiewicz, MJ; Gorga, JC; Bibbins, F; Celatka, CA; Nagafuji, P; Bannister, TD; Meyers, HV; Babine, RE; Hayward, NJ; Weaver, D; Benjamin, H; Stassen, F; Abdel-Meguid, SS; Strickler, JE Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. J Med Chem 49:7781-91 (2006) [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:
BDBM12969
Synonyms:
(2S)-2-[(2S)-2-({[(1S)-1-(4-bromophenyl)ethyl]carbamoyl}amino)-2-cyclohexylacetamido]-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methylbutanamide | alpha-ketothiazole analogue 29
Type:
Small organic molecule
Emp. Form.:
C31H45BrN8O4S
Mol. Mass.:
705.709
SMILES:
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
Structure:
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Substrate
Name:
BDBM12947
Synonyms:
(2S)-5-carbamimidamido-N-(4-methyl-2-oxo-2H-chromen-7-yl)-2-{[(2S)-1-{[(2S)-5-oxopyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}pentanamide | Fluorogenic Tripeptide Substrate | Glp-Pro-Arg-AMC
Type:
Small organic molecule
Emp. Form.:
C26H33N7O6
Mol. Mass.:
539.5835
SMILES:
[#6]-c1cc(=O)oc2cc(-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6](=O)-[#7]-3)ccc12 |r|
Structure:
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