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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	L-741,626
Molecular formula	C20H21ClN2O
IUPAC name	4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
Molecular weight	340.851
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.7
Synonyms	4-Piperidinol, 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)- BDBM50050467 HMS3262E06 LP00742 NCGC00015591-04 NCGC00261427-01 SR-01000075973-1 Tox21_500742 3-[[4-(4-Chlorophenyl)-4-hydroxypiperidin-l-yl]methyl-1H-indole A19235 BRD-K05181463-001-01-6 D0M3PV KSC-315-034- L000887 MLS000860079 NCGC00015591-07 PDSP2_001399 ( inverted exclamation markA)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol AKOS024456330 CCG-204827 GTPL177 L 741626 Lopac-L-135 NCGC00015591-02 NCGC00024932-03 SMR000326937 3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole Biomol-NT_000036 CHEMBL445102 HMS3267M15 L-741,626, >=98% (HPLC) LS-116920 NCGC00015591-05 PDSP1_001415 SR-01000075973-3 ZINC6788 4-(4-Chloro-phenyl)-1-(1H-indol-3-ylmethyl)-piperidin-4-ol AC1L335F BRD-K05181463-001-04-0 DTXSID30230974 KUC112479N L741,626 MolPort-003-943-618 NCGC00024932-01 PDSP2_001833 ( inverted question mark)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole 4-(4-chlorophenyl)-1-(1h-indol-3-ylmethyl)piperidin-4-ol B6544 CHEBI:92090 HMS2230F17 L-135 Lopac0_000742 NCGC00015591-03 NCGC00024932-04 SR-01000075973 1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperidin-4-ol 3-[4-(4-chlorophenyl)-4-hydroxypiperidinyl]methylindole 81226-60-0 BPBio1_001094 CTK3I9542 HMS3370K05 L-741626 MFCD00953632 NCGC00015591-06 PDSP1_001848 Tocris-1003 4-(4-CHLOROPHENYL)-1-(1H-INDOL-3-YL METHYL)PIPERIDIN-4-OL AC1Q3NO6 C20H21ClN2O EU-0100742 L 741,626 L741626 NCGC00015591-01 NCGC00024932-02 SCHEMBL11253588 (+/-)-3-[4-(4-Chlorophenyl)-4-hydroxypiperidinyl]methylindole [ Show all ]
Inchi Key	LLBLNMUONVVVPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
PubChem CID	133633
ChEMBL	CHEMBL445102
IUPHAR	177
BindingDB	50050467
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	1000.0 nM	PMID10869410	BindingDB
Ki	6570.0 nM	PMID18774793	BindingDB,ChEMBL

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