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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	Melatonin
Molecular formula	C13H16N2O2
IUPAC name	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight	232.283
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	0.8
Synonyms	LS-1623 MLS001055382 C01598 Sleep Right Melatol N-acetyl-5-methoxy-tryptamine Melatonine Circadin Spectrum4_000066 Melatonin (synth.) ultra-pure Nature'S Harmony ST057260 NCGC00015680-08 DTXSID1022421 Tox21_201527 3-(n-acetyl-2-aminoethyl)-5-methoxyindole NCGC00015680-16 Guna-dermo [3H]-melatonin A4039/0172195 NCGC00090727-07 HMS3262M16 AC1Q4F1W NINDS_000353 I05-0076 Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- (9CI) Oprea1_814234 KBio1_000353 AJ-09558 PREVENTION 1 (MELATONIN) (PREVENTION 1) KS-00000GX9 Melatonina (TN) BDBM9019 RTC-063565 M-1250 MT6 CCRIS 3472 SPBio_001527 Melatonex, Melatonin N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide CTK3J8148 SR-01000075559 Melatonin, >=99.5% NCGC00015680-03 DivK1c_000353 SW196607-4 NCGC00015680-11 F1929-1777 UNII-JL5DK93RCL 5-22-12-00042 (Beilstein Handbook Reference) NCGC00090727-02 HMS1569K18 {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide AB00053279_12 NCGC00256404-01 HMS3713K18 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- NSC-113928 IDI1_002631 Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- (6CI,8CI) Prestwick0_000458 KBio2_005801 ANW-42685 PREVENTION 4 (MELATONIN) KSC498C4R Melatonine; BRD-K97530723-001-07-6 SBB003265 BSPBio_000536 SDCCGMLS-0065812.P001 Mela-T N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide CHEMBL45 Spectrum2_001344 Melatonin (MLT) N-[2-(5-methoxyindol-3-yl)ethyl]-Acetamide D0B5CB SR-01000075559-7 NCGC00015680-06 DSSTox_GSID_22421 Tox21_110195 NCGC00015680-14 GTPL1357 ZB001948 8041-44-9 NCGC00090727-05 HMS2096K18 AC-10019 NCI60_004378 HSDB 7509 Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)- NSC56423 JL5DK93RCL Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-} Prestwick3_000458 KBioSS_000665 Melatonin, United States Pharmacopeia (USP) Reference Standard BC200187 Revital Melatonin Lopac0_000787 ML1 M 5250 MLS001240204 CAS-73-31-4 SMP2_000309 Melatonex N-Acetyl-5-methoxytryptamine CM-539 Spectrum5_001745 Melatonin 1.0 mg/ml in Methanol NCGC00015680-01 DB01065 ST24031293 NCGC00015680-09 EINECS 200-797-7 Tox21_302926 4-ACETAMIDO-4'-ISOTHIO-CYANATOSTILBENE-2,2'-DISULFONIC ACID NCGC00015680-18 Guna-dermo (Salt/Mix) [3H]melatonin AB00053279 NCGC00090727-08 HMS3370J20 AC1Q4F1X NMR/14327425 I10-0345 Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-(9CI) Pineal Hormone KBio2_000665 AK110931 PREVENTION 2 (MELATONIN) KS-000048J8 Melatonine BIDD:ER0618 Rx Balance BRD-K97530723-001-11-8 SC-16475 M1105 N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide CHEBI:16796 SPBio_002475 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-Acetamide D08170 SR-01000075559-1 Melatonin, British Pharmacopoeia (BP) Reference Standard NCGC00015680-04 DRLFMBDRBRZALE-UHFFFAOYSA-N TC-063565 005M655 NCGC00015680-12 FT-0628191 Vivitas 5-Methoxy-N-acetyltryptamine NCGC00090727-03 HMS1921E04 {N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide AB0007332 NCGC00259077-01 HMS501B15 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- (9CI) NSC-56423 IN1244 Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-(6CI,8CI) Prestwick1_000458 KBio3_002226 ARONIS24462 PREVENTION 5 (MELATONIN) L001261 Melovine BSPBio_003006 SDCCGMLS-0065812.P002 Melapure N-acetyl-5-methoxy-tryptamine ChemDiv2_003916 Spectrum3_001393 Melatonin (synth.) standard-grade N-[2-(5-methoxyindol-3-yl)ethyl]acetamide D0M9SI SR-01000075559-8 NCGC00015680-07 DSSTox_RID_76585 Tox21_110195_1 NCGC00015680-15 GTPL224 ZINC57060 NCGC00090727-06 HMS2233D23 AC1L1A9Q Night Rest HY-B0075 Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- Oprea1_104553 KB-178582 ACT03490 Prestwick_312 KM1545 Melatonina BCP28154 RP17870 LP00787 MLS000859594 M-1200 MolPort-000-737-883 CCG-38837 SMR000326666 Melatonex, 73-31-4 N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide CS-1769 Spectrum_000185 Melatonin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material NCGC00015680-02 Disodium 4-acetamido-4'-isothiocyanato-stilben-2,2'-disulfonate STK386880 NCGC00015680-10 EU-0100787 Tox21_500787 4CN-3100 NCGC00090727-01 HMS1380B22 [3H]MLT AB00053279-10 NCGC00090727-09 HMS3654A22 ACE073 NSC 113928 IDI1_000353 Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- Posidorm KBio2_003233 AKOS000276269 PREVENTION 3 (MELATONIN) KS-1454 Melatonine, 99% BPBio1_000590 S1204 BRN 0205542 SCHEMBL19018 MCULE-1497884152 N-(2-(5-methoxyindol-3-yl)ethyl)-Acetamide SPECTRUM1500690 Melatonin (JAN) N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide D0AN7B SR-01000075559-6 Melatonin, Pharmaceutical Secondary Standard; Certified Reference Material NCGC00015680-05 DSSTox_CID_2421 TNP00300 0E2B08C1-B325-45B1-8939-6F9081EFDFA4 NCGC00015680-13 FT-0658928 WLN: T56 BMJ D2MV1 GO1 73-31-4 NCGC00090727-04 HMS2089F09 AB2000011 NCGC00261472-01 HSCI1_000400 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-(9CI) NSC113928 J10164 Acetamide, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Prestwick2_000458 KBioGR_000591 Melatonin, powder, >=98% (TLC) BAS 01281092 PubChem18245 Lopac-M-5250 MFCD00005655 [ Show all ]
Inchi Key	DRLFMBDRBRZALE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
PubChem CID	896
ChEMBL	CHEMBL45
IUPHAR	1357, 224
BindingDB	9019
DrugBank	DB01065
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID8632342, PMID12750432	PDSP,BindingDB

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