Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTrypsin
LigandBDBM50158155
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1565755 (CHEMBL3782553)
Ki 150±n/a nM
Citation Venukadasula, PKOwusu, BYBansal, NRoss, LJHobrath, JVBao, DTruss, JWStackhouse, MMessick, TEKlampfer, LGalemmo, RA Design and Synthesis of Nonpeptide Inhibitors of Hepatocyte Growth Factor Activation. ACS Med Chem Lett7:177-81 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Trypsin
Name:Trypsin
Synonyms:Serine protease 1/Trypsin-2/Trypsin-3
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 2155713
Components:This complex has 3 components.
Component 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Trypsin-2
Synonyms:Anionic trypsinogen | PRSS2 | Serine protease 2 | TRY2 | TRY2_HUMAN | TRYP2 | Thrombin & trypsin | Trypsin | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 3
Name:Trypsin-3
Synonyms:Brain trypsinogen | Mesotrypsinogen | PRSS3 | PRSS4 | Serine protease 3 | Serine protease 4 | TRY3 | TRY3_HUMAN | TRY4 | Thrombin & trypsin | Trypsin | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50158155
n/a
NameBDBM50158155
Synonyms:CHEMBL3781354
TypeSmall organic molecule
Emp. Form.C25H33N5O2
Mol. Mass.435.5618
SMILESNC(=N)c1cccc(c1)N1CC(CO)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: