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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular formula	C13H14N2
IUPAC name	3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular weight	198.269
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.8
Synonyms	AJ-13203 ChemDiv2_002931 F9995-2686 MCULE-8034406494 SR-01000607393 2202AE 3-(1,2,3,6-tetrahydro-4-pyridyl)-1-H-indole 3-(1,2,3,6-tetrahydropyridin4-yl)- 1H-indole 347T559 BBL010213 CTK5C2597 FT-0677342 MolPort-000-159-541 STK801496 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole 3-(1,2,3,6-tetrahydro-pyri-din-4yl)-1h-indole 3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indole 4-([1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine AC1MC402 DTXSID20375484 KB-86596 SCHEMBL653742 ZINC154399 1H-Indole, 3-(1,2,3,6-tetrahydro-4-pyridinyl)- 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H-indol 3-(1,2,3,6-tetrahydropyridin-4-yl)indole 3-(4-1,2,5,6-tetrahydropyridyl)indole AKOS000505683 cid_2761023 FS-1743 MFCD03695471 SR-01000607393-2 3-(1,2,3,6-tetrahydro-4-pyridinyl )-1H-indole 3-(1,2,3,6-tetrahydro-4-pyridyl)-1H-indole 3-(1,2,3,6-tetrahydropyridin4-yl)-1H -indole 38620-69-8 BDBM31023 D02MVR HMS1377F05 NE12559 THPindole 3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indole, AldrichCPR 3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole 3-(1,2,3,6tetrahydropyridin-4-yl)-1H-indole 65347-55-9 AC1Q1GX4 CHEMBL27811 EN300-24706 KS-0000258P SMR000029333 1H-Indole,3-(1,2,3,6-tetrahydro-4-pyridinyl)- 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H-indole 3-(1,2,3,6-tetrahydropyridin-4yl)-1H-indole BB 0218498 CIRSPTXGPFAXRE-UHFFFAOYSA-N FT-0602348 MLS000093715 ST50342174 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1 H-indole 3-(1,2,3,6-tetrahydro-4-pyrinyl)-1h-indole 3-(1,2,3,6-tetrahydropyridin4-yl)-1H-indole 4-([1H]-indol-3-yl)-1,2,3,6-tetrahydro-pyridine CCG-139909 DB-054803 I10-1367 SBB092334 TR-015569 3-(1,2,3,6-tetrahydro-4-pyridinyl)1-H-indole 3-(1.2,3.6-Tetrahydropyridin-4-yl)-1 H-Indole A823963 [ Show all ]
Inchi Key	CIRSPTXGPFAXRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
PubChem CID	2761023
ChEMBL	CHEMBL27811
IUPHAR	N/A
BindingDB	31023
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
42923	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
42925	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
42926	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
42929	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
42924	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
42928	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
42927	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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