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Reaction Details
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TargetSerine protease 1
LigandBDBM50133525
Substrate/Competitorn/a
Meas. Tech.ChEBML_212727
Ki 3000±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
 
Serine protease 1
Name:Serine protease 1
Synonyms:Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1
Type:Enzyme
Mol. Mass.:26557.80
Organism:Homo sapiens (Human)
Description:P07477
Residue:247
Sequence:
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN
ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT
SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK
NTIAANS
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  Blast E-value cutoff:
BDBM50133525
n/a
NameBDBM50133525
Synonyms:CHEMBL115643 | N-((trans-4-aminocyclohexyl)methyl)-2-(6-methyl-2-oxo-3-(phenylmethylsulfonamido)pyridin-1(2H)-yl)acetamide | N-(4-Amino-cyclohexylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
TypeSmall organic molecule
Emp. Form.C22H30N4O4S
Mol. Mass.446.563
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:24.25,wD:27.29,(9.06,-2.5,;7.71,-3.25,;6.36,-2.48,;5.05,-3.25,;5.05,-4.76,;3.7,-5.53,;2.38,-4.76,;2,-6.25,;2.76,-3.25,;1.04,-4.02,;1.01,-2.48,;-.34,-1.71,;-.37,-.19,;.96,.63,;2.31,-.14,;2.32,-1.68,;6.36,-5.56,;6.36,-7.1,;7.71,-4.79,;9.02,-5.58,;10.36,-4.82,;10.37,-3.28,;11.69,-5.59,;13.03,-4.82,;14.37,-5.61,;15.7,-4.84,;17.03,-5.62,;17.01,-7.16,;18.35,-7.97,;15.66,-7.93,;14.35,-7.15,)|
Structure
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