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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 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

Ligand

Name	MLS000756415
Molecular formula	C20H25N3O2
IUPAC name	N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	339.439
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.3
Synonyms	N-[.alpha.-(Hydroxymethyl)propyl]-D-lysergamide BDBM86237 Ergoline-8.beta.-carboxamide, 9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-6-methyl- NSC186067 4,6,6a,7,8,9-Hexahydro-9-[1-(hydroxymethyl)propylcarbamoyl]-7-methylindolo[4,3-fg]quinoline CHEBI:91798 L000928 Methergine (Salt/Mix) SMR000528720 9,10-Didehydro-N-[(S)-1-(hydroxymethyl)propyl]-6-methylergoline-8.beta.-carboxamide Ergoline-8-carboxamide, 9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-, (8.beta.)- N-[1-(Hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide, [8.beta.(S)]- # BRD-A63667919-103-01-9 HMS2231B08 NSC_8226 MCULE-8879242487 UNBRKDKAWYKMIV-UHFFFAOYSA-N AC1L1HI4 Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-6-methyl-, [8.beta.(S)]- NSC-186067 CAS_8226 HMS3369A11 SCHEMBL16092804 9,10-Didehydro-N-(.alpha.-(hydroxymethyl)propyl)-6-methyl-ergoline-8-.beta.-carboxamide CHEMBL1597692 Methergin (Salt/Mix) [ Show all ]
Inchi Key	UNBRKDKAWYKMIV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)
PubChem CID	4140
ChEMBL	CHEMBL1597692
IUPHAR	N/A
BindingDB	86237
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	4.57 nM	PMID15322733	BindingDB
Ki	4.57088 nM	PMID15322733	PDSP

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