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	Urotensin-2 receptor
Species	Homo sapiens (Human)
Gene	UTS2R
Synonym	urotensin II receptor UT receptor UR-II-R UR-2-R UII-R1 SENR (sensory epithelial neuropeptide-like receptor) GPR14 G-protein coupled receptor 14 G protein-coupled receptor 14 UTR2 [ Show all ]
Disease	Asthma Diabetic nephropathy Renal failure
Length	389
Amino acid sequence	MALTPESPSSFPGLAATGSSVPEPPGGPNATLNSSWASPTEPSSLEDLVATGTIGTLLSAMGVVGVVGNAYTLVVTCRSLRAVASMYVYVVNLALADLLYLLSIPFIVATYVTKEWHFGDVGCRVLFGLDFLTMHASIFTLTVMSSERYAAVLRPLDTVQRPKGYRKLLALGTWLLALLLTLPVMLAMRLVRRGPKSLCLPAWGPRAHRAYLTLLFATSIAGPGLLIGLLYARLARAYRRSQRASFKRARRPGARALRLVLGIVLLFWACFLPFWLWQLLAQYHQAPLAPRTARIVNYLTTCLTYGNSCANPFLYTLLTRNYRDHLRGRVRGPGSGGGRGPVPSLQPRARFQRCSGRSLSSCSPQPTDSLVLAPAAPARPAPEGPRAPA
UniProt	Q9UKP6
Protein Data Bank	N/A
GPCR-HGmod model	Q9UKP6
3D structure model	This predicted structure model is from GPCR-EXP Q9UKP6.
BioLiP	N/A
Therapeutic Target Database	T49072
ChEMBL	CHEMBL3764
IUPHAR	365
DrugBank	N/A

Ligand

Name	CHEMBL237879
Molecular formula	C34H45ClN4O4
IUPAC name	5-chloro-N-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
Molecular weight	609.208
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50224717 SCHEMBL4438101 5-chloro-N-((1-(3,3-dimethylbutanoyl)piperidin-4-yl)methyl)-2-(1-(2-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)ethyl)piperidin-4-yl)benzamide
Inchi Key	GGZLXDQZCPDNHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H45ClN4O4/c1-34(2,3)21-31(40)38-16-10-24(11-17-38)22-36-33(42)28-20-26(35)8-9-27(28)25-12-14-37(15-13-25)18-19-39-29-6-4-5-7-30(29)43-23-32(39)41/h4-9,20,24-25H,10-19,21-23H2,1-3H3,(H,36,42)
PubChem CID	24804324
ChEMBL	CHEMBL237879
IUPHAR	N/A
BindingDB	50224717
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
Ki	27.0 nM	PMID17933531	BindingDB,ChEMBL

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