Reaction Details Report a problem with these data
Target
Glutathione hydrolase 1 proenzyme
Ligand
BDBM50248738
Substrate
n/a
Meas. Tech.
ChEMBL_543160 (CHEMBL1014320)
IC50
18000±n/a nM
Citation
 Sadanandam, YS; Shetty, MM; Rao, AB; Rambabu, Y 10H-Phenothiazines: a new class of enzyme inhibitors for inflammatory diseases. Eur J Med Chem 44:197-202 (2008) [PubMed]  Article 
Target
Name:
Glutathione hydrolase 1 proenzyme
Synonyms:
GGT | GGT1 | GGT1_HUMAN | Gamma-glutamyltranspeptidase 1
Type:
PROTEIN
Mol. Mass.:
61413.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_543160
Residue:
569
Sequence:
MKKKLVVLGLLAVVLVLVIVGLCLWLPSASKEPDNHVYTRAAVAADAKQCSKIGRDALRDGGSAVDAAIAALLCVGLMNAHSMGIGGGLFLTIYNSTTRKAEVINAREVAPRLAFATMFNSSEQSQKGGLSVAVPGEIRGYELAHQRHGRLPWARLFQPSIQLARQGFPVGKGLAAALENKRTVIEQQPVLCEVFCRDRKVLREGERLTLPQLADTYETLAIEGAQAFYNGSLTAQIVKDIQAAGGIVTAEDLNNYRAELIEHPLNISLGDVVLYMPSAPLSGPVLALILNILKGYNFSRESVESPEQKGLTYHRIVEAFRFAYAKRTLLGDPKFVDVTEVVRNMTSEFFAAQLRAQISDDTTHPISYYKPEFYTPDDGGTAHLSVVAEDGSAVSATSTINLYFGSKVRSPVSGILFNNEMDDFSSPSITNEFGVPPSPANFIQPGKQPLSSMCPTIMVGQDGQVRMVVGAAGGTQITTATALAIIYNLWFGYDVKRAVEEPRLHNQLLPNVTTVERNIDQAVTAALETRHHHTQIASTFIAVVQAIVRTAGGWAAASDSRKGGEPAGY
  
Inhibitor
Name:
BDBM50248738
Synonyms:
2-(2-Chlorophenyl)-N,N',4-trimethyl-10Hphenothiazine-1,3-dicarboxamide | CHEMBL518832
Type:
Small organic molecule
Emp. Form.:
C23H20ClN3O2S
Mol. Mass.:
437.942
SMILES:
CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccccc1Cl |(29.29,-26.84,;27.96,-27.61,;27.97,-29.15,;29.31,-29.91,;26.64,-29.93,;25.3,-29.17,;25.28,-27.63,;23.96,-29.95,;22.61,-29.17,;21.28,-29.96,;19.94,-29.2,;18.61,-29.97,;18.61,-31.51,;19.95,-32.28,;21.28,-31.51,;22.62,-32.28,;23.97,-31.5,;25.31,-32.27,;25.32,-33.81,;26.66,-34.57,;23.99,-34.58,;24,-36.12,;26.66,-31.49,;27.99,-32.25,;28,-33.78,;29.33,-34.55,;30.66,-33.77,;30.65,-32.22,;29.31,-31.47,;30.63,-30.69,)|
Structure:
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