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

NameCHEMBL3753550
Molecular formulaC21H19N3O2
IUPAC name(1R)-1-naphthalen-1-yl-N-[(5-nitro-1H-indol-2-yl)methyl]ethanamine
Molecular weight345.402
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.4
SynonymsSCHEMBL10039630
Inchi KeyJHGFQITYJOLVST-CQSZACIVSA-N
Inchi IDInChI=1S/C21H19N3O2/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)22-13-17-11-16-12-18(24(25)26)9-10-21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1
PubChem CID57385593
ChEMBLCHEMBL3753550
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
525844Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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