Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	Macaca mulatta (Rhesus macaque)
Gene	UTS2R
Synonym	UR-2-R UR-II-R Urotensin II receptor
Disease	N/A for non-human GPCRs
Length	389
Amino acid sequence	MALTPESPSSFPGLAAIGSSVPEPPGSPNATLNSSWASPTEPSSLEDLVATGAIGTLLSAMGVVGVVGNAYTLVVTCRSLRAVASMYIYVVNLALADLLYLLSIPFIVATYITKEWHFGDVGCRVLFSLDFLTMHASIFTLTVMSSERYAAVLRPLDTVQRPKGYRKLLALGTWLLALLLTLPVMLAMRLVRRGPKSLCLPAWGPRAHRAYLTLLFATSIAGPGLLIGLLYARLARAYRRSQRASFKRARRPGARALRLVLGIVLLFWACFLPFWLWQLLAQYREAPLAPRTARIVNYLTTCLTYGNSCANPFLYTLLTRNYRDHLRGRVRSPGSGGVRGPVPSLQPRARFQRGSGRSLSSCSPQPTESLVLAAAAPAGPALESPGDPA
UniProt	Q8HYC3
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4845
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SB-436811
Molecular formula	C23H29Cl2N3O2
IUPAC name	3,4-dichloro-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]benzamide
Molecular weight	450.404
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	CHEMBL366221 346729-66-6 KB-74923 ZINC3964101 (S)-3,4-dichloro-N-(1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)benzamide Benzamide,3,4-dichloro-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-3-pyrrolidinyl]- 3,4-dichloro-N-[(3S)-1-[[4-(3-dimethylaminopropoxy)phenyl]methyl]pyrrolidin-3-yl]benzamide D0PQ8T (S)-N-(1-(4-(3-(dimethylamino)propoxy)benzyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide 3,4-Dichloro-N-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-benzamide GTPL2164 BDBM50240963 SCHEMBL6949936 [ Show all ]
Inchi Key	AMSSIFVGNFEEFU-IBGZPJMESA-N
Inchi ID	InChI=1S/C23H29Cl2N3O2/c1-27(2)11-3-13-30-20-7-4-17(5-8-20)15-28-12-10-19(16-28)26-23(29)18-6-9-21(24)22(25)14-18/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,26,29)/t19-/m0/s1
PubChem CID	9846574
ChEMBL	CHEMBL366221
IUPHAR	2164
BindingDB	50240963
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	251.19 nM	PMID15936190	ChEMBL

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