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

NameCHEMBL3752122
Molecular formulaC27H24N2
IUPAC name(1R)-1-naphthalen-1-yl-N-[(3-phenyl-1H-indol-2-yl)methyl]ethanamine
Molecular weight376.503
Hydrogen bond acceptor1
Hydrogen bond donor2
XlogP6.2
SynonymsN/A
Inchi KeyJRCXDOBUWGNQNR-LJQANCHMSA-N
Inchi IDInChI=1S/C27H24N2/c1-19(22-16-9-13-20-10-5-6-14-23(20)22)28-18-26-27(21-11-3-2-4-12-21)24-15-7-8-17-25(24)29-26/h2-17,19,28-29H,18H2,1H3/t19-/m1/s1
PubChem CID127026334
ChEMBLCHEMBL3752122
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526010Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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