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GLASS

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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.
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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	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	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 CHEMBL18785 GTPL23 NCGC00024867-02 RU-24,969 SR-01000597981 3-(1,2,3,6-tetrahydropyridin-4-yl)-5-methoxy-1H-indole 66611-26-5 Biomol-NT_000116 D03PJW L001328 PDSP1_001617 UNII-2ISE72RACC 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole AC1L337E CHEBI:92005 EN300-39806 MolPort-003-983-322 PDSP2_001607 5-methoxy-3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indole API0006969 CS-3218 HY-16688 NE18708 RU-24969 SR-01000597981-1 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole BPBio1_000177 DB-073775 LS-187325 PDSP1_001623 ZINC2568243 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole(RU-24969) AC1Q4F1Q FT-0745673 NCGC00024867-01 2ISE72RACC 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole BDBM81498 CTK1J4546 KRVMLPUDAOWOGN-UHFFFAOYSA-N NSC_108028 SCHEMBL2359264 Tocris-0912 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridyl)-1h-indole AB00698348-04 CAS_108028 DTXSID40276045 MCULE-3532976182 PDSP2_001601 [ 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
IC50	4.0 nM	PMID23542166	ChEMBL
IC50	14.0 nM	PMID2374139	BindingDB,ChEMBL
Ki	5.0 nM	PMID3543362	BindingDB,ChEMBL
Ki	9.77 nM	PMID6225026	BindingDB
Ki	10.9 nM	Bioorg. Med. Chem. Lett., (1995) 5:24:2963	ChEMBL
Ki	10.96 nM	PMID8258822, PMID8568799	ChEMBL
Ki	11.0 nM	N/A	BindingDB
Ki	912.01 nM	PMID6225026	BindingDB

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