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

NameSCHEMBL17056275
Molecular formulaC18H21ClIN
IUPAC name4-chloro-N-ethyl-N-[1-(3-iodo-2-methylphenyl)ethyl]-3-methylaniline
Molecular weight413.727
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP6.3
SynonymsBDBM264704
US9718771, 3-4
Inchi KeyACHIEEOICYQEGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21ClIN/c1-5-21(15-9-10-17(19)12(2)11-15)14(4)16-7-6-8-18(20)13(16)3/h6-11,14H,5H2,1-4H3
PubChem CID118349186
ChEMBLN/A
IUPHARN/A
BindingDB264704
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557345Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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