Reaction Details Report a problem with these data
Target
Glutathione hydrolase 1 proenzyme
Ligand
BDBM50248737
Substrate
n/a
Meas. Tech.
ChEMBL_543160 (CHEMBL1014320)
IC50
25000±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:
BDBM50248737
Synonyms:
2-(2-Methylphenyl)-N,N',4-trimethyl-10Hphenothiazine-1,3-dicarboxamide | CHEMBL462840
Type:
Small organic molecule
Emp. Form.:
C24H23N3O2S
Mol. Mass.:
417.523
SMILES:
CNC(=O)c1c(C)c2Sc3ccccc3Nc2c(C(=O)NC)c1-c1ccccc1C |(14.18,-27.19,;12.85,-27.96,;12.86,-29.49,;14.2,-30.25,;11.53,-30.28,;10.19,-29.51,;10.17,-27.97,;8.85,-30.3,;7.5,-29.52,;6.17,-30.31,;4.83,-29.54,;3.5,-30.31,;3.5,-31.86,;4.84,-32.63,;6.17,-31.86,;7.52,-32.63,;8.86,-31.85,;10.2,-32.62,;10.21,-34.16,;11.55,-34.92,;8.88,-34.93,;8.89,-36.47,;11.55,-31.84,;12.88,-32.6,;12.89,-34.13,;14.22,-34.89,;15.55,-34.12,;15.54,-32.57,;14.2,-31.81,;15.53,-31.04,)|
Structure:
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