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	Rattus norvegicus (Rat)
Gene	Uts2r
Synonym	UT receptor urotensin II receptor UR-II-R UR-2-R UII-R1 SENR (sensory epithelial neuropeptide-like receptor) SENR GPR14 G-protein coupled sensory epithelial neuropeptide-like receptor G-protein coupled receptor 14 G protein-coupled receptor 14 UTR2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MALSLESTTSFHMLTVSGSTVTELPGDSNVSLNSSWSGPTDPSSLKDLVATGVIGAVLSAMGVVGMVGNVYTLVVMCRFLRASASMYVYVVNLALADLLYLLSIPFIIATYVTKDWHFGDVGCRVLFSLDFLTMHASIFTLTIMSSERYAAVLRPLDTVQRSKGYRKLLVLGTWLLALLLTLPMMLAIQLVRRGSKSLCLPAWGPRAHRTYLTLLFGTSIVGPGLVIGLLYVRLARAYWLSQQASFKQTRRLPNPRVLYLILGIVLLFWACFLPFWLWQLLAQYHEAMPLTPETARIVNYLTTCLTYGNSCINPFLYTLLTKNYREYLRGRQRSLGSSCHSPGSPGSFLPSRVHLQQDSGRSLSSSSQQATETLMLSPVPRNGALL
UniProt	P49684
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	CHEMBL4921
IUPHAR	365
DrugBank	N/A

Ligand

Name	CHEMBL1165764
Molecular formula	C47H65N11O13S2
IUPAC name	(2S)-2-[[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-16-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid
Molecular weight	1056.22
Hydrogen bond acceptor	17
Hydrogen bond donor	14
XlogP	-4.8
Synonyms	BDBM50320459 AD[CAWKYC]V
Inchi Key	JCYNYRUOLMRCNG-QKOWXXQQSA-N
Inchi ID	InChI=1S/C47H65N11O13S2/c1-23(2)38(47(70)71)58-46(69)36-22-73-72-21-35(56-44(67)34(19-37(60)61)53-39(62)24(3)49)45(68)51-25(4)40(63)54-33(18-27-20-50-30-10-6-5-9-29(27)30)43(66)52-31(11-7-8-16-48)41(64)55-32(42(65)57-36)17-26-12-14-28(59)15-13-26/h5-6,9-10,12-15,20,23-25,31-36,38,50,59H,7-8,11,16-19,21-22,48-49H2,1-4H3,(H,51,68)(H,52,66)(H,53,62)(H,54,63)(H,55,64)(H,56,67)(H,57,65)(H,58,69)(H,60,61)(H,70,71)/t24-,25-,31-,32-,33-,34-,35-,36-,38-/m0/s1
PubChem CID	10920221
ChEMBL	CHEMBL1165764
IUPHAR	N/A
BindingDB	50320459
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.

Experimental Data

Parameter	Value	Reference	Database source
EC50	6.5 nM	PMID20043680	BindingDB,ChEMBL

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