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	CHEMBL3358676
Molecular formula	C22H25BrN4O2S
IUPAC name	1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(3-bromothieno[3,2-b]pyridin-7-yl)urea
Molecular weight	489.432
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.3
Synonyms	BDBM50036157
Inchi Key	FAIMTXULCHXHME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25BrN4O2S/c23-17-15-30-20-18(6-9-24-19(17)20)26-21(28)25-10-13-27-11-7-22(29,8-12-27)14-16-4-2-1-3-5-16/h1-6,9,15,29H,7-8,10-14H2,(H2,24,25,26,28)
PubChem CID	86291694
ChEMBL	CHEMBL3358676
IUPHAR	N/A
BindingDB	50036157
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3220.0 nM	PMID25452001	BindingDB,ChEMBL

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