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

NameCHEMBL553846
Molecular formulaC21H20Cl2N2
IUPAC nameN-[(5-chloro-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
Molecular weight371.305
Hydrogen bond acceptor1
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyNCACDGPVUROFRI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19ClN2.ClH/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)23-13-18-12-16-11-17(22)9-10-21(16)24-18;/h2-12,14,23-24H,13H2,1H3;1H
PubChem CID45264864
ChEMBLCHEMBL553846
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
219607Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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