Reaction Details Report a problem with these data
Target
Glutathione S-transferase P
Ligand
BDBM50586717
Substrate
n/a
Meas. Tech.
ChEMBL_2169508 (CHEMBL5054567)
IC50
730±n/a nM
Citation
 Fan, Y; Si, H; Zhang, Z; Zhong, L; Sun, H; Zhu, C; Yin, Z; Li, H; Tang, G; Yao, SQ; Sun, P; Zhang, ZM; Ding, K; Li, Z Novel Electrophilic Warhead Targeting a Triple-Negative Breast Cancer Driver in Live Cells Revealed by "Inverse Drug Discovery". J Med Chem 64:15582-15592 (2021) [PubMed]  Article 
Target
Name:
Glutathione S-transferase P
Synonyms:
FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST)
Type:
Enzyme
Mol. Mass.:
23353.53
Organism:
Homo sapiens (Human)
Description:
P09211
Residue:
210
Sequence:
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
  
Inhibitor
Name:
BDBM50586717
Synonyms:
CHEMBL5081631
Type:
Small organic molecule
Emp. Form.:
C15H10O2
Mol. Mass.:
222.2387
SMILES:
O=c1cc1-c1ccc(Oc2ccccc2)cc1
Structure:
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