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

NameCHEMBL3609143
Molecular formulaC29H29NO4
IUPAC name19-(cyclopropylmethoxy)-18-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-hexaene
Molecular weight455.554
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50114874
Inchi KeyCYJCXWNNMRXTFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29NO4/c1-30-14-22(18-6-4-3-5-7-18)21-13-26(31-2)29(32-15-17-8-9-17)28-20-12-25-24(33-16-34-25)11-19(20)10-23(30)27(21)28/h3-7,11-13,17,22-23H,8-10,14-16H2,1-2H3
PubChem CID122187378
ChEMBLCHEMBL3609143
IUPHARN/A
BindingDB50114874
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4695115-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4695105-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
4695125-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
4695155-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
4695175-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4695145-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4695165-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4695135-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
4695185-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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