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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	CHEMBL52396
Molecular formula	C25H30N2O4
IUPAC name	2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]isoindole-1,3-dione
Molecular weight	422.525
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.3
Synonyms	3-[N-PROPYL-N-(4-PHTHALIMIDOBUTYL)AMINO]-5-METHOXYCHROMAN SCHEMBL9304776 2-[4-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]propylamino]butyl]-1H-isoindole-1,3(2H)-dione ISIUTFCGQWDGHC-UHFFFAOYSA-N CHEMBL283207 2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl}-isoindole-1,3-dione; compound with oxalic acid LS-84564 BDBM50036844 [ Show all ]
Inchi Key	ISIUTFCGQWDGHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30N2O4/c1-3-13-26(18-16-21-22(30-2)11-8-12-23(21)31-17-18)14-6-7-15-27-24(28)19-9-4-5-10-20(19)25(27)29/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3
PubChem CID	10251673
ChEMBL	CHEMBL283207
IUPHAR	N/A
BindingDB	50036844
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	50.0 nM	PMID7912735	BindingDB
Ki	2.512 nM	PMID8568799	ChEMBL

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