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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL542436
Molecular formula	C17H25NO2
IUPAC name	(1R,3S)-1-(aminomethyl)-3-cyclohexyl-6-methyl-3,4-dihydro-1H-isochromen-5-ol
Molecular weight	275.392
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	(1R)-1alpha-(Aminomethyl)-3,4-dihydro-3alpha-cyclohexyl-6-methyl-1H-2-benzopyran-5-ol BDBM50008825 SCHEMBL9802432 1-Aminomethyl-3-cyclohexyl-6-methyl-isochroman-5-ol; hydrobromide CHEMBL1191350
Inchi Key	HSJYTPFWWPUYDT-HOTGVXAUSA-N
Inchi ID	InChI=1S/C17H25NO2/c1-11-7-8-13-14(17(11)19)9-15(20-16(13)10-18)12-5-3-2-4-6-12/h7-8,12,15-16,19H,2-6,9-10,18H2,1H3/t15-,16-/m0/s1
PubChem CID	15711850
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50008825
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	54.0 nM	PMID1833546	BindingDB

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