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	Probable G-protein coupled receptor 139
Species	Homo sapiens (Human)
Gene	GPR139
Synonym	G(q)-coupled orphan receptor GPRg1 G-protein-coupled receptor PGR3 GPR139 GPRG1
Disease	N/A
Length	353
Amino acid sequence	MEHTHAHLAANSSLSWWSPGSACGLGFVPVVYYSLLLCLGLPANILTVIILSQLVARRQKSSYNYLLALAAADILVLFFIVFVDFLLEDFILNMQMPQVPDKIIEVLEFSSIHTSIWITVPLTIDRYIAVCHPLKYHTVSYPARTRKVIVSVYITCFLTSIPYYWWPNIWTEDYISTSVHHVLIWIHCFTVYLVPCSIFFILNSIIVYKLRRKSNFRLRGYSTGKTTAILFTITSIFATLWAPRIIMILYHLYGAPIQNRWLVHIMSDIANMLALLNTAINFFLYCFISKRFRTMAAATLKAFFKCQKQPVQFYTNHNFSITSSPWISPANSHCIKMLVYQYDKNGKPIKVSP
UniProt	Q6DWJ6
Protein Data Bank	N/A
GPCR-HGmod model	Q6DWJ6
3D structure model	This predicted structure model is from GPCR-EXP Q6DWJ6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3632455
IUPHAR	130
DrugBank	N/A

Ligand

Name	AC1LTB7C
Molecular formula	C17H18N2O2
IUPAC name	N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
Molecular weight	282.343
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.4
Synonyms	CHEMBL3633718 N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide ZINC1749250
Inchi Key	NPQGQQXNUGFMBV-ZDUSSCGKSA-N
Inchi ID	InChI=1S/C17H18N2O2/c1-13(14-8-4-2-5-9-14)19-16(20)12-18-17(21)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,21)(H,19,20)/t13-/m0/s1
PubChem CID	1555702
ChEMBL	CHEMBL3633718
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	162.0 nM	PMID26396690	ChEMBL
Emax	130.0 %	PMID26396690	ChEMBL

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