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TargetTrypsin
LigandBDBM50122184
Substrate/Competitorn/a
Meas. Tech.ChEMBL_212855
Ki 20000±n/a nM
Citation Sanderson, PECutrona, KJDyer, DLKrueger, JAKuo, LCLewis, SDLucas, BJYan, Y Small, low nanomolar, noncovalent thrombin inhibitors lacking a group to fill the 'distal binding pocket'. Bioorg Med Chem Lett13:161-4 (2002) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Trypsin
Name:Trypsin
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 212560
Components:This complex has 3 components.
Component 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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Component 2
Name:Trypsin
Synonyms:Anionic trypsinogen | Serine protease 2 | Trypsin II | Trypsin-2
Type:PROTEIN
Mol. Mass.:26479.43
Organism:Homo sapiens (Human)
Description:ChEMBL_41517
Residue:247
Sequence:
MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGGSLISEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPKYNSRTLDNDILLIKLSSPAVIN
SRVSAISLPTAPPAAGTESLISGWGNTLSSGADYPDELQCLDAPVLSQAECEASYPGKIT
NNMFCVGFLEGGKDSCQGDSGGPVVSNGELQGIVSWGYGCAQKNRPGVYTKVYNYVDWIK
DTIAANS
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Component 3
Name:Trypsin
Synonyms:Brain trypsinogen | Mesotrypsinogen | Serine protease 3 | Serine protease 4 | Trypsin III | Trypsin IV | Trypsin-3
Type:PROTEIN
Mol. Mass.:32532.52
Organism:Homo sapiens (Human)
Description:ChEMBL_216043
Residue:304
Sequence:
MCGPDDRCPARWPGPGRAVKCGKGLAAARPGRVERGGAQRGGAGLELHPLLGGRTWRAAR
DADGCEALGTVAVPFDDDDKIVGGYTCEENSLPYQVSLNSGSHFCGGSLISEQWVVSAAH
CYKTRIQVRLGEHNIKVLEGNEQFINAAKIIRHPKYNRDTLDNDIMLIKLSSPAVINARV
STISLPTTPPAAGTECLISGWGNTLSFGADYPDELKCLDAPVLTQAECKASYPGKITNSM
FCVGFLEGGKDSCQRDSGGPVVCNGQLQGVVSWGHGCAWKNRPGVYTKVYNYVDWIKDTI
AANS
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  Blast E-value cutoff:
BDBM50122184
NameBDBM50122184
Synonyms:CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
TypeSmall organic molecule
Emp. Form.C22H22ClN3O4S
Mol. Mass.459.946
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a