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GLASS

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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	Bufotenine
Molecular formula	C12H16N2O
IUPAC name	3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
Molecular weight	204.273
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.2
Synonyms	Oprea1_475603 3-(2-(Dimethylamino)ethyl)-1H-indol-5-ol VTTONGPRPXSUTJ-UHFFFAOYSA-N 3-[.beta.-(Dimethylamino)ethyl]-5-hydroxyindole 5-22-12-00026 (Beilstein Handbook Reference) AKOS005445162 CAS-487-93-4 D0SP2J DSSTox_GSID_48894 Indol-5-ol, 3-[2-(dimethylamino)ethyl]- N, N-Dimethylserotonin 0A31347TZK 1H-Indol-5-ol, 3-(2-(dimethylamino)ethyl)- SCHEMBL518028 3-(2-Dimethylaminoethyl)-5-indolol ZINC1070 3-[2-(Dimethylamino)ethyl]-5-indolol 5-Hydroxy-N,N-dimethyltryptamine Bufotenin DEA No. 7433 EINECS 207-667-9 L001128 N,N-Dimethylserotonin 1H-Indol-5-ol,3-[2-(dimethylamino)ethyl]- Tox21_112890 3-[(.beta.-Dimethylamino)ethyl]-5-hydroxyindole 3-[beta-(Dimethylamino)ethyl]-5-hydroxyindole 8-methoxy-2,2,5,6-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one Bufotenine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material Cohoba DMT,5-OH InChI=1/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H Mappin NSC-89593 PDSP1_000007 3-(2-(Dimethylamino)ethyl)-1H-indol-5-ol (ACD/Name 4.0) VZ36427 3-[2-(Dimethylamino)ethyl]-1H-indol-5-ol 5-hydroxy-dimethyltryptamine BDBM50024206 cebilcin DB-012579 DSSTox_RID_83089 Indol-5-ol, {3-[2-(dimethylamino)ethyl]-} N,N-Dimethyl-5-HT 1,5-benzoxazepin-4(5H)-one, 2,3-dihydro-8-methoxy-2,2,5,6-tetramethyl- 1H-Indol-5-ol, 3-[2-(dimethylamino)ethyl]- STK368137 3-(2-Dimethylaminoethyl)indol-5-ol {3-[(2-Dimethylamino)ethyl]-5-indolol} 3-[2-(Dimethylamino)ethyl]-Indol-5-ol 5-OH-DMT CHEMBL416526 Dimethylserotonin FT-0623282 LS-83677 NCGC00247724-01 NSC89593 3-(.beta.-Dimethylaminoethyl)-5-hydroxyindole UNII-0A31347TZK 3-[(2-Dimethylamino)ethyl]-5-indolol 487-93-4 AC1L1UTH C08299 CTK6I0591 DSSTox_CID_28820 INDOL-5-OL, 3-(2-(DIMETHYLAMINO)ETHYL)- Mappine PDSP2_000007 3-(2-dimethylaminoethyl)-1H-indol-5-ol WLN: T56 BMJ D2N1&1 GQ 3-[2-(Dimethylamino)ethyl]-1H-indol-5-ol # 5-Hydroxy-N, N-dimethyltryptamine BRN 0160628 CHEBI:3210 DB01445 DTXSID0048894 KB-56697 N,N-Dimethyl-5-hydroxytryptamine 1H-Indol-5-ol, {3-[2-(dimethylamino)ethyl]-} TC-061237 3-(beta-Dimethylaminoethyl)-5-hydroxyindole {3-[(beta-Dimethylamino)ethyl]-5-hydroxyindole} 3-[2-(Dimethylamino)ethyl]indol-5-ol Bufotenine 1.0 mg/ml in Acetonitrile Cinobufotenine DM5-HT GTPL144 Mapine NSC 89593 [ Show all ]
Inchi Key	VTTONGPRPXSUTJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
PubChem CID	10257
ChEMBL	CHEMBL416526
IUPHAR	144
BindingDB	50024206
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	70.0 nM	PMID3543362	BindingDB,ChEMBL

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