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

NameCHEMBL517244
Molecular formulaC35H44N2O
IUPAC nameN-methyl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
Molecular weight508.75
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP7.8
SynonymsN/A
Inchi KeyAQQFXOLTZFTABW-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H44N2O/c1-36(27-28-15-17-29(18-16-28)38-26-10-25-37-23-7-2-8-24-37)22-9-20-35-21-19-30(31-11-3-5-13-33(31)35)32-12-4-6-14-34(32)35/h3-6,11-18,30H,2,7-10,19-27H2,1H3
PubChem CID25212276
ChEMBLCHEMBL517244
IUPHARN/A
BindingDB50277046
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12018D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
12022D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
12023D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
12020D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
12019Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
12021Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417