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	Mus musculus (Mouse)
Gene	Htr5a
Synonym	MR22 Htr5 5HT5- 5-hydroxytryptamine (serotonin) receptor 5A, G protein-coupled 5-HT5alpha 5-HT5A receptor 5-HT5A 5-HT-5A 5-HT-5 Serotonin receptor 5A [ Show all ]
Disease	N/A for non-human GPCRs
Length	357
Amino acid sequence	MDLPVNLTSFSLSTPSSLEPNRSLDTEVLRPSRPFLSAFRVLVLTLLGFLAAATFTWNLLVLATILKVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRTRKRVSNVMILLTWALSTVISLAPLLFGWGETYSEPSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYRAAKFRMGSRKTNSVSPVPEAVEVKNATQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDVPAIWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProt	P30966
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	CHEMBL3597
IUPHAR	10
DrugBank	N/A

Ligand

Name	CHEMBL338091
Molecular formula	C21H21FN2O
IUPAC name	1-(4-fluorophenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
Molecular weight	336.41
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.7
Synonyms	AC1L8ENI SCHEMBL7146651 1-(4-fluorophenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one NSC665297 AC1Q4NJ9 1-(4-Fluoro-phenyl)-4-(1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-butan-1-one Oprea1_489382 BDBM50132123 1-(4-fluorophenyl)-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one CTK7B9748 [ Show all ]
Inchi Key	JHBXOLKUKNLCRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21FN2O/c22-16-9-7-15(8-10-16)21(25)6-3-12-24-13-11-20-18(14-24)17-4-1-2-5-19(17)23-20/h1-2,4-5,7-10,23H,3,6,11-14H2
PubChem CID	379995
ChEMBL	CHEMBL338091
IUPHAR	N/A
BindingDB	50132123
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	512.0 nM	PMID12930153	BindingDB,ChEMBL

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