5ALG-R4N
General
Type : Carboxamide,Sulfur Compound
Chemical_Nomenclature : 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
Canonical SMILES : C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC4=C(C=C3)SCC(=O)N4CC5=CC(=CC=C5)Cl
InChI : InChI=1S\/C25H21ClN2O4S\/c26-18-5-3-4-16(10-18)13-28-20-11-17(8-9-23(20)33-15-24(28)29)25(30)27-12-19-14-31-21-6-1-2-7-22(21)32-19\/h1-11,19H,12-15H2,(H,27,30)\/t19-\/m0\/s1
InChIKey : JDJXOOKBURTXCO-IBGZPJMESA-N
Other name(s) : Q27464850,R4N,ZINC000230472211
MW : 481.0
Formula : C25H21ClN2O4S
CAS_number :
PubChem : 91754975
UniChem : JDJXOOKBURTXCO-IBGZPJMESA-N
IUPHAR :
Wikipedia :
Target
Families : 5ALG-R4N ligand of proteins in family: Epoxide_hydrolase
Stucture : 5ALG ligand complex structure of human soluble epoxide hydrolase
Protein : human-EPHX2
References (1)
| Title : Successful generation of structural information for fragment-based drug discovery - Oster_2015_Drug.Discov.Today_20_1104 |
| Author(s) : Oster L , Tapani S , Xue Y , Kack H |
| Ref : Drug Discov Today , 20 :1104 , 2015 |
| Abstract : Oster_2015_Drug.Discov.Today_20_1104 |
| ESTHER : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |