Zhang Lab

National University of Singapore

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

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Galanin receptor type 1
Species	Homo sapiens (Human)
Gene	GALR1
Synonym	GAL1-R GALNR GALNR1 GALR-1 GAL1 receptor
Disease	Epileptic seizures
Length	349
Amino acid sequence	MELAVGNLSEGNASWPEPPAPEPGPLFGIGVENFVTLVVFGLIFALGVLGNSLVITVLARSKPGKPRSTTNLFILNLSIADLAYLLFCIPFQATVYALPTWVLGAFICKFIHYFFTVSMLVSIFTLAAMSVDRYVAIVHSRRSSSLRVSRNALLGVGCIWALSIAMASPVAYHQGLFHPRASNQTFCWEQWPDPRHKKAYVVCTFVFGYLLPLLLICFCYAKVLNHLHKKLKNMSKKSEASKKKTAQTVLVVVVVFGISWLPHHIIHLWAEFGVFPLTPASFLFRITAHCLAYSNSSVNPIIYAFLSENFRKAYKQVFKCHIRKDSHLSDTKESKSRIDTPPSTNCTHV
UniProt	P47211
Protein Data Bank	N/A
GPCR-HGmod model	P47211
3D structure model	This predicted structure model is from GPCR-EXP P47211.
BioLiP	N/A
Therapeutic Target Database	T78581
ChEMBL	CHEMBL4894
IUPHAR	243
DrugBank	N/A

Ligand

Name	CHEMBL1921991
Molecular formula	C22H24FN5O
IUPAC name	4-N-(3-fluoro-4-methoxyphenyl)-6-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine
Molecular weight	393.466
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.3
Synonyms	BDBM50358651 SCHEMBL10143563
Inchi Key	IMGOBFAIFJMPOM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24FN5O/c1-29-19-11-10-17(14-18(19)23)25-21-15-20(24-16-8-4-2-5-9-16)26-22(27-21)28-12-6-3-7-13-28/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H2,24,25,26,27)
PubChem CID	57395992
ChEMBL	CHEMBL1921991
IUPHAR	N/A
BindingDB	50358651
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6770.0 nM	PMID22018787	BindingDB,ChEMBL
Inhibition	60.0 %	PMID22018787	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417