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	5-hydroxytryptamine receptor 5A
Species	Rattus norvegicus (Rat)
Gene	Htr5a
Synonym	5-HT5A receptor REC17 MR22 Htr5 5-HT-5A 5HT5- 5-HT5A 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled 5-HT5alpha serotonin receptor 5A [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MDLPINLTSFSLSTPSTLEPNRSLDTEALRTSQSFLSAFRVLVLTLLGFLAAATFTWNLLVLATILRVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRARKRVSNVMILLTWALSAVISLAPLLFGWGETYSELSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYKAAKFRMGSRKTNSVSPIPEAVEVKDASQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDIPALWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProt	P35364
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	CHEMBL4655
IUPHAR	10
DrugBank	N/A

Ligand

Name	CHEMBL126340
Molecular formula	C25H24N2O3S
IUPAC name	[1-(benzenesulfonyl)-4-[2-(dimethylamino)ethyl]indol-2-yl]-phenylmethanone
Molecular weight	432.538
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.2
Synonyms	SCHEMBL6921957 2-Benzoyl-1-(phenylsulfonyl)-4-[2-(dimethylamino)ethyl]-1H-indole [1-Benzenesulfonyl-4-(2-dimethylamino-ethyl)-1H-indol-2-yl]-phenyl-methanone BDBM50106246
Inchi Key	PBBGIYKMAVNTAL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24N2O3S/c1-26(2)17-16-19-12-9-15-23-22(19)18-24(25(28)20-10-5-3-6-11-20)27(23)31(29,30)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3
PubChem CID	9867475
ChEMBL	CHEMBL126340
IUPHAR	N/A
BindingDB	50106246
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
Ki	1600.0 nM	PMID11689074	BindingDB,ChEMBL

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