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

NameCHEMBL472485
Molecular formulaC24H27N3O2S
IUPAC name2-(2-phenoxyethylsulfanylmethyl)-5-[4-[(E)-3-pyrrolidin-1-ylprop-1-enyl]phenyl]-1,3,4-oxadiazole
Molecular weight421.559
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL5638436
SCHEMBL5638441
Inchi KeyAOVYQQZRAIMKCT-VOTSOKGWSA-N
Inchi IDInChI=1S/C24H27N3O2S/c1-2-8-22(9-3-1)28-17-18-30-19-23-25-26-24(29-23)21-12-10-20(11-13-21)7-6-16-27-14-4-5-15-27/h1-3,6-13H,4-5,14-19H2/b7-6+
PubChem CID9823530
ChEMBLCHEMBL472485
IUPHARN/A
BindingDBN/A
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
10635Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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