Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1801166
Molecular formulaC21H23ClN2O2S
IUPAC name(1R)-N-[(1,1-dioxo-3,4-dihydro-2H-1lambda6,2-benzothiazin-3-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
Molecular weight402.937
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyUFDSFVADVOCRJO-BARLLYERSA-N
Inchi IDInChI=1S/C21H22N2O2S.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)26(24,25)23-18;/h2-12,15,18,22-23H,13-14H2,1H3;1H/t15-,18?;/m1./s1
PubChem CID56659470
ChEMBLCHEMBL1801166
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
335394Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078
335395Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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