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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	terguride
Molecular formula	C20H28N4O
IUPAC name	3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Molecular weight	340.471
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.5
Synonyms	Opera_ID_1172 S(+)-Terguride Teluron (TN) Terguridum [Latin] 1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-urea ZINC3811327 6-Methyl-8alpha-(diethylcarbamoylamino)ergoline AJ-45674 DTXSID3045809 KS-1464 Prestwick2_000945 SH-406 Tergurida [Spanish] (+)-(5R,8S,10R)-Terguride trans-Dihydrolisuride 3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea 8alpha-(3,3-diethylureido)-6-methylergoline BPBio1_000918 D01ZOB GTPL56 N,N-Diethyl-N'-(D-6-methyl-10alpha-isoergolin-8-yl)urea NCGC00094476-03 S(+)-N,N-Diethyl-N'([8alpha]-6-methylergolin-8-yl)urea TDHL Terguride [INN] 1,1-diethyl-3-(6-methyl-8alpha-ergolinyl)urea Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)- AB00514698 CAS-37686-84-3 DSSTox_GSID_45809 J-523241 Prestwick0_000945 S(+)-Terguride (5R, 8S, 10R) Tergurid Tox21_111283 1-((5R,8S,10R)-6-Methyl-8-ergolinyl)-3,3-diethylurea ZK 31224 6-Methyl-8\|A-(diethylcarbamoylamino)ergoline API0004355 CHEMBL73151 EINECS 253-624-2 MLS000069833 N,N-Diethyl-N'-(D-6-methyl-10\|A-isoergolin-8-yl)urea Prestwick3_000927 SMR000058934 (+)-Terguride Transdihydrolisuride 37686-84-3 9,10-alpha-Dihydrolisuride BRN 0766582 Dironyl HMS1570N12 NCGC00179409-02 s(+)-N,N-Diethyl-n([8alpha]-6-methylergolin-8-yl)urea Teluron Terguridum 1,1-Diethyl-3-(6-methylergolin-8alpha-yl)urea VUFB-6638 AC1L9FGP CHEBI:32193 DSSTox_RID_81146 JOAHPSVPXZTVEP-YXJHDRRASA-N Prestwick1_000945 SCHEMBL147259 Tergurida trans-Dihydro Lisuride 21OJT43Q88 ZK-31224 85649-11-2 BDBM50017519 D01348 FT-0667042 N,N-Dethyl-n'-[(8alpha)-6-methylergoln-8-yl]urea N,N-Diethyl-N'-[(8\|A)-6-methylergolin-8-yl]urea S(+)-N,N-Diethyl-N inverted exclamation marka([8\|A]-6-methylergolin-8-yl)urea SPBio_003069 Terguride (JAN/INN) (5R,8S,10R)-Terguride UNII-21OJT43Q88 37686-85-4 (maleate[1:1]) 9,10\|A-Dihydrolisuride BSPBio_000834 DSSTox_CID_25809 HMS2232H10 [ Show all ]
Inchi Key	JOAHPSVPXZTVEP-YXJHDRRASA-N
Inchi ID	InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
PubChem CID	443951
ChEMBL	CHEMBL73151
IUPHAR	56
BindingDB	50017519
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	47.86 nM	PMID12388666	BindingDB
Ki	50.1187 nM	PMID12388666	IUPHAR

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