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 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

NameCHEMBL3609146
Molecular formulaC25H23NO4
IUPAC name18-methoxy-13-methyl-15-phenyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
Molecular weight401.462
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50114925
Inchi KeyGCHJSHYKQQLMEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23NO4/c1-26-12-18(14-6-4-3-5-7-14)17-11-22(28-2)25(27)24-16-10-21-20(29-13-30-21)9-15(16)8-19(26)23(17)24/h3-7,9-11,18-19,27H,8,12-13H2,1-2H3
PubChem CID122187381
ChEMBLCHEMBL3609146
IUPHARN/A
BindingDB50114925
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4743645-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4743655-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
4743585-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
4743665-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
4743615-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4743605-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4743595-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4743625-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
4743635-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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