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	Corticotropin-releasing factor receptor 2
Species	Homo sapiens (Human)
Gene	CRHR2
Synonym	CRH-R2 CRH-R-2 CRFR2beta CRFR2alpha CRFR2 CRFR-2 CRF2 receptor CRF-R2 CRF-R-2 CRF 2 receptor Corticotropin-releasing hormone receptor 2 [ Show all ]
Disease	Generalized anxiety disorder Anxiety disorder Congestive heart failure Eating disorders stimulate food consumption anxiety
Length	411
Amino acid sequence	MDAALLHSLLEANCSLALAEELLLDGWGPPLDPEGPYSYCNTTLDQIGTCWPRSAAGALVERPCPEYFNGVKYNTTRNAYRECLENGTWASKINYSQCEPILDDKQRKYDLHYRIALVVNYLGHCVSVAALVAAFLLFLALRSIRCLRNVIHWNLITTFILRNVMWFLLQLVDHEVHESNEVWCRCITTIFNYFVVTNFFWMFVEGCYLHTAIVMTYSTERLRKCLFLFIGWCIPFPIIVAWAIGKLYYENEQCWFGKEPGDLVDYIYQGPIILVLLINFVFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDDLSQIMFIYFNSFLQSFQGFFVSVFYCFFNGEVRSAVRKRWHRWQDHHSLRVPMARAMSIPTSPTRISFHSIKQTAAV
UniProt	Q13324
Protein Data Bank	N/A
GPCR-HGmod model	Q13324
3D structure model	This predicted structure model is from GPCR-EXP Q13324.
BioLiP	N/A
Therapeutic Target Database	T11011
ChEMBL	CHEMBL4069
IUPHAR	213
DrugBank	N/A

Ligand

Name	CHEMBL3628729
Molecular formula	C22H29BrN4O
IUPAC name	4-(4-bromo-2-ethylphenyl)-8-[butyl(ethyl)amino]-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
Molecular weight	445.405
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.5
Synonyms	BDBM50128764 SCHEMBL15811779
Inchi Key	LWJXCUDUCRIMFR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29BrN4O/c1-5-8-11-26(7-3)19-12-15(4)24-22-21(19)25-20(28)14-27(22)18-10-9-17(23)13-16(18)6-2/h9-10,12-13H,5-8,11,14H2,1-4H3,(H,25,28)
PubChem CID	90231885
ChEMBL	CHEMBL3628729
IUPHAR	N/A
BindingDB	50128764
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	2.1 %	PMID26456805	ChEMBL

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