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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.
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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	S 14489
Molecular formula	C22H26N2O2
IUPAC name	1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
Molecular weight	350.462
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.3
Synonyms	153607-44-4 CHEMBL130276 AC1L4BA2 NSC_182595 CAS_182595 Piperazine, 1-(2-bicyclo(4.2.0)octa-1,3,5-trien-7-ylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)- 4-(Benzodioxan-5-yl)-1-(2-(benzocyclobutan-1-yl)ethyl)piperazine CTK4C7917 S-14489 ACMC-20n6r7 PDSP1_000558 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine Piperazine,1-(2-bicyclo[4.2.0]octa-1,3,5-trien-7-ylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)- L006788 SCHEMBL1037297 BDBM82562 PDSP2_000556 [ Show all ]
Inchi Key	DHYRQVXQZAGWKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)16-18(19)8-9-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2
PubChem CID	182595
ChEMBL	CHEMBL130276
IUPHAR	N/A
BindingDB	82562
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	0.5888 nM	PMID7562940	ChEMBL
Ki	0.61 nM	PMID8301575	BindingDB

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