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

NameCHEMBL3752334
Molecular formulaC23H24N2O2
IUPAC name(1R)-N-[(4,6-dimethoxy-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine
Molecular weight360.457
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.5
SynonymsN/A
Inchi KeyBFVSPBVBARMDKY-OAHLLOKOSA-N
Inchi IDInChI=1S/C23H24N2O2/c1-15(19-10-6-8-16-7-4-5-9-20(16)19)24-14-17-11-21-22(25-17)12-18(26-2)13-23(21)27-3/h4-13,15,24-25H,14H2,1-3H3/t15-/m1/s1
PubChem CID57385840
ChEMBLCHEMBL3752334
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
522225Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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