Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL1956932
Molecular formulaC23H30N4O4S
IUPAC nameN-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-1,3-benzoxazol-6-yl]-2-methylpropane-2-sulfonamide
Molecular weight458.577
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50365406
Inchi KeyUQFDONSOHCWLLV-IYBDPMFKSA-N
Inchi IDInChI=1S/C23H30N4O4S/c1-15-13-27(14-16(2)30-15)19-9-6-17(7-10-19)24-22-25-20-11-8-18(12-21(20)31-22)26-32(28,29)23(3,4)5/h6-12,15-16,26H,13-14H2,1-5H3,(H,24,25)/t15-,16+
PubChem CID57403513
ChEMBLCHEMBL1956932
IUPHARN/A
BindingDB50365406
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
342829Neuropeptide Y receptor type 5O70342Npy5rMus musculus (Mouse)466

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218