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	CHEMBL423527
Molecular formula	C15H23NO
IUPAC name	N-ethyl-N-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
Molecular weight	233.355
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.1
Synonyms	Diethyl-[(1S,2S)-2-(2-methoxy-phenyl)-cyclopropylmethyl]-amine BDBM50288783
Inchi Key	ZBTKOZJTWIZSRF-OCCSQVGLSA-N
Inchi ID	InChI=1S/C15H23NO/c1-4-16(5-2)11-12-10-14(12)13-8-6-7-9-15(13)17-3/h6-9,12,14H,4-5,10-11H2,1-3H3/t12-,14+/m1/s1
PubChem CID	44355180
ChEMBL	CHEMBL423527
IUPHAR	N/A
BindingDB	50288783
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	431.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:4:415	BindingDB,ChEMBL

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