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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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	AC1L1UTH C08299 CTK6I0591 DSSTox_CID_28820 INDOL-5-OL, 3-(2-(DIMETHYLAMINO)ETHYL)- Mappine NSC89593 3-(.beta.-Dimethylaminoethyl)-5-hydroxyindole UNII-0A31347TZK 3-[(2-Dimethylamino)ethyl]-5-indolol 487-93-4 BRN 0160628 CHEBI:3210 DB01445 DTXSID0048894 KB-56697 N,N-Dimethyl-5-hydroxytryptamine 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 Bufotenine 1.0 mg/ml in Acetonitrile Cinobufotenine DM5-HT GTPL144 Mapine NSC 89593 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 AKOS005445162 CAS-487-93-4 D0SP2J DSSTox_GSID_48894 Indol-5-ol, 3-[2-(dimethylamino)ethyl]- N, N-Dimethylserotonin 0A31347TZK 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) Bufotenin DEA No. 7433 EINECS 207-667-9 L001128 N,N-Dimethylserotonin 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 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 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 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- 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 CHEMBL416526 Dimethylserotonin FT-0623282 LS-83677 NCGC00247724-01 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 [ 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	15.0 nM	PMID10611640	PDSP,BindingDB
Ki	145.0 nM	PMID10611640	PDSP,BindingDB
Ki	158.489 nM	PMID8663249	IUPHAR
p[A50]	6.8 -	PMID7658443	ChEMBL

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