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

NameCHEMBL218446
Molecular formulaC38H50N2O8S
IUPAC name5-[[(Z)-[(4-hexadecoxy-3-methoxyphenyl)-phenylmethylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid
Molecular weight694.884
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP11.1
Synonyms(Z)-5-[1-(4-cetyloxy-3-methoxyphenyl)-1-phenylmethylene]-sulfohydrazono isophthalic acid
BDBM50203775
Inchi KeyAWIXKKSJEDGSMS-HYLXNHFUSA-N
Inchi IDInChI=1S/C38H50N2O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-48-34-23-22-30(28-35(34)47-2)36(29-20-17-16-18-21-29)39-40-49(45,46)33-26-31(37(41)42)25-32(27-33)38(43)44/h16-18,20-23,25-28,40H,3-15,19,24H2,1-2H3,(H,41,42)(H,43,44)/b39-36-
PubChem CID16105541
ChEMBLCHEMBL218446
IUPHARN/A
BindingDB50203775
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16067Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
16068Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
16069Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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