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	Homo sapiens (Human)
Gene	HTR5A
Synonym	5-HT5alpha 5-HT-5 MR22 Htr5 5-HT-5A 5-HT5A 5HT5- 5-HT5A receptor 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled serotonin receptor 5A [ Show all ]
Disease	N/A
Length	357
Amino acid sequence	MDLPVNLTSFSLSTPSPLETNHSLGKDDLRPSSPLLSVFGVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLVAALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGWGETYSEGSEECQVSREPSYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVGSRKTNSVSPISEAVEVKDSAKQPQMVFTVRHATVTFQPEGDTWREQKEQRAALMVGILIGVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAFNKNYNSAFKNFFSRQH
UniProt	P47898
Protein Data Bank	N/A
GPCR-HGmod model	P47898
3D structure model	This predicted structure model is from GPCR-EXP P47898.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3426
IUPHAR	10
DrugBank	BE0004688

Ligand

Name	CHEMBL103549
Molecular formula	C16H24N4O2S
IUPAC name	2-[5-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
Molecular weight	336.454
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.4
Synonyms	2-[2-[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-1,2,5-thiadiazolidine 1,1-dioxide BDBM50422021 SCHEMBL8806507
Inchi Key	MOHPWFHMJJUUSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N4O2S/c1-19(2)8-6-14-12-17-16-4-3-13(11-15(14)16)5-9-20-10-7-18-23(20,21)22/h3-4,11-12,17-18H,5-10H2,1-2H3
PubChem CID	10404770
ChEMBL	CHEMBL103549
IUPHAR	N/A
BindingDB	50422021
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	125.89 nM	PMID7932524	ChEMBL
IC50	126.0 nM	PMID7932524	BindingDB

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