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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	CHEMBL545198
Molecular formula	C23H26N2O4
IUPAC name	2-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]isoindole-1,3-dione
Molecular weight	394.471
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.6
Synonyms	3-[N-PROPYL-N-(2-PHTHALIMIDOETHYL)AMINO]-5-METHOXYCHROMAN SCHEMBL9305322 2-[2-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]propylamino]ethyl]-1H-isoindole-1,3(2H)-dione IWAURPBNJCOTMU-UHFFFAOYSA-N CHEMBL264212 2-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl}-isoindole-1,3-dione; hydrochloride LS-84565 BDBM50036845 [ Show all ]
Inchi Key	IWAURPBNJCOTMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O4/c1-3-11-24(16-14-19-20(28-2)9-6-10-21(19)29-15-16)12-13-25-22(26)17-7-4-5-8-18(17)23(25)27/h4-10,16H,3,11-15H2,1-2H3
PubChem CID	9977937
ChEMBL	CHEMBL264212
IUPHAR	N/A
BindingDB	50036845
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	800.0 nM	PMID7912735	BindingDB
Ki	398.11 nM	PMID8568799	ChEMBL

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