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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	CHEMBL84942
Molecular formula	C18H19N5O2
IUPAC name	3-(1-methylpyrrolidin-3-yl)-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
Molecular weight	337.383
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	L009007 156499-23-9 3-(N-Methylpyrrolidin-3-yl)-5-((3-nitropyrid-2-yl)amino)indole CP-124,439 AC1NUSV2 SCHEMBL7844792 3-(1-Methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine 3-(N-Methylpyrrolidin-3-yl)-5-(3-nitropyrid-2-ylamino)-1H-indole GKTWNPQNDWIPDK-UHFFFAOYSA-N BDBM50039567 [3-(1-Methyl-pyrrolidin-3-yl)-1H-indol-5-yl]-(3-nitro-pyridin-2-yl)-amine 3-(1-methylpyrrolidin-3-yl)-N-(3-nitropyridin-2-yl)-1H-indol-5-amine CP 124439 [ Show all ]
Inchi Key	GKTWNPQNDWIPDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N5O2/c1-22-8-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18-17(23(24)25)3-2-7-19-18/h2-5,7,9-10,12,20H,6,8,11H2,1H3,(H,19,21)
PubChem CID	5492087
ChEMBL	CHEMBL84942
IUPHAR	N/A
BindingDB	50039567
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	885.0 nM	PMID8057297	BindingDB
EC50	885.0 nM	PMID8057297	ChEMBL
IC50	320.0 nM	PMID8057297	BindingDB,ChEMBL

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