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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	Mus musculus (Mouse)
Gene	Htr1a
Synonym	5-HT-1A Gpcr18 ADRBRL1 ADRB2RL1 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A receptor 5-HT1A Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	421
Amino acid sequence	MDMFSLGQGNNTTTSLEPFGTGGNDTGLSNVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSNPNECTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKKGAGTSFGTSSAPPPKKSLNGQPGSGDCRRSAENRAVGTPCANGAVRQGEDDATLEVIEVHRVGNSKGHLPLPSESGATSYVPACLERKNERTAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPELLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCR
UniProt	Q64264
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	CHEMBL3737
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL11388
Molecular formula	C16H23NO
IUPAC name	(3aS,9aR)-5-methoxy-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
Molecular weight	245.366
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.6
Synonyms	2,3,3abeta,4,9,9aalpha-Hexahydro-5-methoxy-1-propyl-1H-benz[f]indole BDBM50034324 (3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole SCHEMBL7499477 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole (3aS,9aR)-5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole [ Show all ]
Inchi Key	HDCVYYTWHHFQGS-UKRRQHHQSA-N
Inchi ID	InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
PubChem CID	10377224
ChEMBL	CHEMBL11388
IUPHAR	N/A
BindingDB	50034324
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	55.0 nM	PMID8097538	BindingDB,ChEMBL
Ki	70.0 nM	PMID8097538	ChEMBL

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