Molecule Details
InChIKeyWRUVOSYKHXGAQN-GKRYNVPLSA-N
Compound NameN-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3
Canonical SMILESCC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.4
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB03768
Drug NameN-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 13929 CHEMBL288010 ChemSpider: 410367 PDB: HBB PubChem:466960 PubChem:46507252 ZINC: ZINC000014880920
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P03367 gag-pol Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI) Pathogen PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 8.4 Ki BindingDB
Q72874 pol Human immunodeficiency virus type 1 Pathogen PF00077 8.4 Ki ChEMBL
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P03369 gag-pol Gag-Pol polyprotein binder targets