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	Melanin-concentrating hormone receptor 2
Species	Homo sapiens (Human)
Gene	MCHR2
Synonym	G-protein coupled receptor 145 melanin-concentrating hormone receptor 2 MCHR-2 MCH2R MCH2 receptor MCH2 G protein-coupled receptor 145 MCH-2R MCH receptor 2 GPRv17 GPR145 MCH-R2 [ Show all ]
Disease	N/A
Length	340
Amino acid sequence	MNPFHASCWNTSAELLNKSWNKEFAYQTASVVDTVILPSMIGIICSTGLVGNILIVFTIIRSRKKTVPDIYICNLAVADLVHIVGMPFLIHQWARGGEWVFGGPLCTIITSLDTCNQFACSAIMTVMSVDRYFALVQPFRLTRWRTRYKTIRINLGLWAASFILALPVWVYSKVIKFKDGVESCAFDLTSPDDVLWYTLYLTITTFFFPLPLILVCYILILCYTWEMYQQNKDARCCNPSVPKQRVMKLTKMVLVLVVVFILSAAPYHVIQLVNLQMEQPTLAFYVGYYLSICLSYASSSINPFLYILLSGNFQKRLPQIQRRATEKEINNMGNTLKSHF
UniProt	Q969V1
Protein Data Bank	N/A
GPCR-HGmod model	Q969V1
3D structure model	This predicted structure model is from GPCR-EXP Q969V1.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5038
IUPHAR	281
DrugBank	N/A

Ligand

Name	CHEMBL216510
Molecular formula	C21H20IN3O
IUPAC name	(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-iodophenyl)prop-2-enamide
Molecular weight	457.315
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.6
Synonyms	SCHEMBL6200282 BDBM50193630 SCHEMBL6200278 (E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-iodophenyl)acrylamide
Inchi Key	BEHNOQZKDVPNIB-IZZDOVSWSA-N
Inchi ID	InChI=1S/C21H20IN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)/b11-6+
PubChem CID	44417843
ChEMBL	CHEMBL216510
IUPHAR	N/A
BindingDB	50193630
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>50.0 %	PMID16919453	ChEMBL

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