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Reaction Details
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TargetProthrombin
LigandBDBM50069193
Substrate/Competitorn/a
Meas. Tech.ChEBML_208316
Ki 47±n/a nM
Citation Sanderson, PEDyer, DLNaylor-Olsen, AMVacca, JPGardell, SJDale Lewis, SLucas, BJLyle, EALynch, JJMulichak, AM L-373,890, An achiral, noncovalent, subnanomolar thrombin inhibitor Bioorg Med Chem Lett7:1497-1500 (1997)    Article
More Info.:Get all data from this article,  Assay Method
 
Prothrombin
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:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50069193
n/a
NameBDBM50069193
Synonyms:CHEMBL424545 | N-(4-Amino-cyclohexylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyridin-1-yl)-acetamide
TypeSmall organic molecule
Emp. Form.C23H32N4O2
Mol. Mass.396.5258
SMILESCc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:22.23,wD:25.27,(10.88,-.69,;9.55,-1.46,;8.19,-.69,;6.86,-1.46,;6.86,-3,;5.53,-3.77,;4.19,-3,;4.19,-1.46,;2.86,-.71,;1.55,-1.48,;.22,-.73,;.19,.8,;1.5,1.58,;2.84,.83,;8.19,-3.77,;8.21,-5.32,;9.55,-3,;10.88,-3.77,;10.88,-5.32,;12.21,-6.09,;9.55,-6.09,;9.55,-7.63,;10.88,-8.4,;12.21,-7.63,;13.55,-8.4,;13.55,-9.95,;14.88,-10.72,;12.21,-10.72,;10.88,-9.95,)|
Structure
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