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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 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

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	ACon1_000057 BSPBio_000528 DB-053583 HMS501J17 MLS001049075 Prestwick2_000454 SR-01000758923-3 602-85-7 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 AC1Q77R9 BRD-K27871032-001-02-6 cid_14987 HMS2096K10 MCULE-2342911271 Prestwick0_000454 SPBio_002467 1413-67-8 AKOS030490884 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 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 ACon0_000797 BRD-K27871032-001-04-2 D01APL HMS2271M04 MEGxp0_001732 Prestwick1_000454 SR-01000758923 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 AC1L24WZ 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 [ 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
Ki	39.8107 nM	PMID8863519	IUPHAR
Ki	42.65 nM	PMID7984267	BindingDB
Ki	43.0 nM	PMID1513320	BindingDB

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