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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

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	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 A823963 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 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 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	140.0 nM	PMID2374139	BindingDB,ChEMBL
Ki	141.25 nM	PMID8568799	ChEMBL
Ki	189.23 nM	PMID8258822	ChEMBL
Ki	190.55 nM	PMID8568799	ChEMBL

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