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TargetTrypsin-1
LigandBDBM50113849
Substrate/Competitorn/a
Meas. Tech.ChEMBL_212197
Ki 1200±n/a nM
Citation Cozzini PFornabaio MMarabotti AAbraham DJKellogg GEMozzarelli A Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. J Med Chem 45:2469-83 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Trypsin-1
Name:Trypsin-1
Synonyms:Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | Trypsin | Trypsin I
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:
BDBM50113849
n/a
NameBDBM50113849
Synonyms:3-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylamino)-propyl]-benzamidine
TypeSmall organic molecule
Emp. Form.C22H29N4O3S
Mol. Mass.429.555
SMILESCc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=[NH2+])C(=O)N1CCCCC1
Structure
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