Molecule Details
InChIKeyHUEGPYLGWYYQEQ-UMSFTDKQSA-N
Compound Name(S)-2-(5-Benzyloxycarbonylamino-naphthalene-1-sulfonylamino)-3-[4-(5-dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-propionic acid
Canonical SMILESCN(C)c1cccc2c(S(=O)(=O)Oc3ccc(C[C@H](NS(=O)(=O)c4cccc5c(NC(=O)OCc6ccccc6)cccc45)C(=O)O)cc3)cccc12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.95
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P04818 TYMS Homo sapiens Human PF00303 7.9 Ki ChEMBL;BindingDB
P00469 thyA Lacticaseibacillus casei Pathogen PF00303 10.0 Ki ChEMBL;BindingDB