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