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	Neuromedin-U receptor 2
Species	Homo sapiens (Human)
Gene	NMUR2
Synonym	G-protein coupled receptor FM-4 G-protein coupled receptor TGR-1 FM4 NMU-R2 NMU2 receptor FM-4 SNORF72 TGR-1 [ Show all ]
Disease	N/A
Length	415
Amino acid sequence	MSGMEKLQNASWIYQQKLEDPFQKHLNSTEEYLAFLCGPRRSHFFLPVSVVYVPIFVVGVIGNVLVCLVILQHQAMKTPTNYYLFSLAVSDLLVLLLGMPLEVYEMWRNYPFLFGPVGCYFKTALFETVCFASILSITTVSVERYVAILHPFRAKLQSTRRRALRILGIVWGFSVLFSLPNTSIHGIKFHYFPNGSLVPGSATCTVIKPMWIYNFIIQVTSFLFYLLPMTVISVLYYLMALRLKKDKSLEADEGNANIQRPCRKSVNKMLFVLVLVFAICWAPFHIDRLFFSFVEEWSESLAAVFNLVHVVSGVFFYLSSAVNPIIYNLLSRRFQAAFQNVISSFHKQWHSQHDPQLPPAQRNIFLTECHFVELTEDIGPQFPCQSSMHNSHLPAALSSEQMSRTNYQSFHFNKT
UniProt	Q9GZQ4
Protein Data Bank	N/A
GPCR-HGmod model	Q9GZQ4
3D structure model	This predicted structure model is from GPCR-EXP Q9GZQ4.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075144
IUPHAR	299
DrugBank	N/A

Ligand

Name	CHEMBL3759505
Molecular formula	C67H110N16O10
IUPAC name	(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-(hexadecanoylamino)-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methyl-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]-methylamino]butanediamide
Molecular weight	1299.72
Hydrogen bond acceptor	12
Hydrogen bond donor	12
XlogP	5.9
Synonyms	N/A
Inchi Key	OZHGPZIBAKJIOR-VCFWISSKSA-N
Inchi ID	InChI=1S/C67H110N16O10/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-37-55(85)80-66(4,5)62(92)79-51(42-46-30-22-20-23-31-46)57(87)77-50(41-45(2)3)58(88)81-67(6,44-47-32-24-21-25-33-47)63(93)78-49(35-28-39-75-65(72)73)61(91)83-40-29-36-52(83)59(89)76-48(34-27-38-74-64(70)71)60(90)82(7)53(56(69)86)43-54(68)84/h20-25,30-33,45,48-53H,8-19,26-29,34-44H2,1-7H3,(H2,68,84)(H2,69,86)(H,76,89)(H,77,87)(H,78,93)(H,79,92)(H,80,85)(H,81,88)(H4,70,71,74)(H4,72,73,75)/t48-,49-,50-,51-,52-,53-,67-/m0/s1
PubChem CID	127027016
ChEMBL	CHEMBL3759505
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Emax	19.2 %	PMID26204509	ChEMBL

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