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

NameCHEMBL1921988
Molecular formulaC22H23F2N5O
IUPAC name4-N-[4-(difluoromethoxy)phenyl]-6-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine
Molecular weight411.457
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50358664
SCHEMBL10144353
Inchi KeyKKYLHZLMVCIIRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23F2N5O/c23-21(24)30-18-11-9-17(10-12-18)26-20-15-19(25-16-7-3-1-4-8-16)27-22(28-20)29-13-5-2-6-14-29/h1,3-4,7-12,15,21H,2,5-6,13-14H2,(H2,25,26,27,28)
PubChem CID57394235
ChEMBLCHEMBL1921988
IUPHARN/A
BindingDB50358664
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
171663Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
171662Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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