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 1D
Species	Rattus norvegicus (Rat)
Gene	Htr1d
Synonym	5-HT1D receptor HTRL Htr1db HT1DA Gpcr14 5-HT-1D 5-HT1D 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled 5-HT1Dalpha Serotonin receptor 1D [ Show all ]
Disease	N/A for non-human GPCRs
Length	374
Amino acid sequence	MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS
UniProt	P28565
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	CHEMBL5450
IUPHAR	3
DrugBank	N/A

Ligand

Name	RU 24969
Molecular formula	C14H16N2O
IUPAC name	5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular weight	228.295
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.8
Synonyms	FT-0745673 NCGC00024867-01 ZINC2568243 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole(RU-24969) AC1Q4F1Q CTK1J4546 KRVMLPUDAOWOGN-UHFFFAOYSA-N NSC_108028 SCHEMBL2359264 2ISE72RACC 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole BDBM81498 DTXSID40276045 MCULE-3532976182 PDSP2_001601 Tocris-0912 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridyl)-1h-indole AB00698348-04 CAS_108028 CHEMBL18785 GTPL23 NCGC00024867-02 RU-24,969 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)- 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole AKOS005135871 D03PJW L001328 PDSP1_001617 SR-01000597981 3-(1,2,3,6-tetrahydropyridin-4-yl)-5-methoxy-1H-indole 66611-26-5 Biomol-NT_000116 CHEBI:92005 EN300-39806 MolPort-003-983-322 PDSP2_001607 UNII-2ISE72RACC 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole AC1L337E CS-3218 HY-16688 NE18708 RU-24969 5-methoxy-3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indole API0006969 DB-073775 LS-187325 PDSP1_001623 SR-01000597981-1 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole BPBio1_000177 [ Show all ]
Inchi Key	KRVMLPUDAOWOGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
PubChem CID	108029
ChEMBL	CHEMBL18785
IUPHAR	23
BindingDB	81498
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	46.77 nM	PMID7984267	BindingDB

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