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

NameCHEMBL539505
Molecular formulaC27H28ClN3O4S
IUPAC nameN-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]-4-nitrobenzenesulfonamide;hydrochloride
Molecular weight526.048
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeySDHKJHUWNXMIQA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N3O4S.ClH/c1-20(26-13-7-11-22-10-5-6-12-27(22)26)28-19-23(18-21-8-3-2-4-9-21)29-35(33,34)25-16-14-24(15-17-25)30(31)32;/h2-17,20,23,28-29H,18-19H2,1H3;1H
PubChem CID45264275
ChEMBLCHEMBL539505
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
311507Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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