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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Trace amine-associated receptor 1
Species	Homo sapiens (Human)
Gene	TAAR1
Synonym	trace amine receptor 1 TAR1 TaR-1 TA1 receptor TRAR1
Disease	N/A
Length	339
Amino acid sequence	MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS
UniProt	Q96RJ0
Protein Data Bank	N/A
GPCR-HGmod model	Q96RJ0
3D structure model	This predicted structure model is from GPCR-EXP Q96RJ0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5857
IUPHAR	364
DrugBank	BE0001044

Ligand

Name	lysergol
Molecular formula	C16H18N2O
IUPAC name	[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Molecular weight	254.333
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.2
Synonyms	BRD-K27871032-001-02-6 cid_14987 HMS2096K10 MCULE-2342911271 Prestwick0_000454 SPBio_002467 1413-67-8 AC1Q77R9 C-15770 DivK1c_000515 IDI1_000515 MolPort-001-740-040 Prestwick3_000454 TNP00316 ((6aR,9R)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol 9,10-Didehydro-6-methyl-8-hydroxymethylergoline AKOS030490884 BIXJFIJYBLJTMK-MEBBXXQBSA-N GTPL123 NTR684Z1AZ SMP1_000185 ZINC3983953 (7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinolin-9-yl)-methanol 9,10-Didehydro-8-hydroxymethyl-6-methyl-ergoline BRD-K27871032-001-04-2 D01APL HMS2271M04 MEGxp0_001732 Prestwick1_000454 SR-01000758923 ACon0_000797 AS-18087 CC-30100 FT-0082603 KBio1_000515 NCGC00017367-01 Prestwick_308 UNII-NTR684Z1AZ (6-methyl-9,10-didehydroergolin-8beta-yl)methanol 9,10-didehydro-6-methylergoline-8b-methanol BPBio1_000582 CHEMBL39947 HMS1569K10 Lysergole Phytochem 12: 2435 (1973) SMR000386913 [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methanol AC1L24WZ BSPBio_000528 DB-053583 HMS501J17 MLS001049075 Prestwick2_000454 SR-01000758923-3 602-85-7 ACon1_000057 BDBM50016479 CHEBI:60528 FT-0621597 LOL NINDS_000515 SCHEMBL178071 W0044 (7-Methyl-4,6,6a,7,8,9-hexahydro-indolo(4,3-fg)quinolin-9-yl)-methanol 9,10-Didehydro-6-methylergoline-8\|A-methanol [ Show all ]
Inchi Key	BIXJFIJYBLJTMK-MEBBXXQBSA-N
Inchi ID	InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
PubChem CID	14987
ChEMBL	CHEMBL39947
IUPHAR	123
BindingDB	50016479
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	7627.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	4577.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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