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

NameCHEMBL396846
Molecular formulaC35H43NaO4S2
IUPAC namesodium;2-(4-butoxyphenyl)sulfanyl-5-(2-tridec-2-ynylphenyl)benzenesulfonate
Molecular weight614.835
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyANSYAZPQSXBQJU-UHFFFAOYSA-M
Inchi IDInChI=1S/C35H44O4S2.Na/c1-3-5-7-8-9-10-11-12-13-14-15-18-29-19-16-17-20-33(29)30-21-26-34(35(28-30)41(36,37)38)40-32-24-22-31(23-25-32)39-27-6-4-2;/h16-17,19-26,28H,3-13,18,27H2,1-2H3,(H,36,37,38);/q;+1/p-1
PubChem CID44437403
ChEMBLCHEMBL396846
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
9847Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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