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GLASS

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GPCR

Name	Melatonin receptor type 1B
Species	Gallus gallus (Chicken)
Gene
Synonym	Mel-1B-R Mel1b receptor
Disease	N/A for non-human GPCRs
Length	289
Amino acid sequence	GNAFVVSLALADLVVALYPYPLVLLAIFHNGWTLGEMHCKVSGFVMGLSVIGSIFNITAIAINRYCYICHSFAYDKVYSCWNTMLYVSLIWVLTVIATVPNFFVGSLKYDPRIYSCTFVQTASSYYTIAVVVIHFIVPITVVSFCYLRIWVLVLQVRRRVKSETKPRLKPSDFRNFLTMFVVFVIFAFCWAPLNFIGLAVAINPSEMAPKVPEWLFIISYFMAYFNSCLNAIIYGLLNQNFRNEYKRILMSLWMPRLFFQDTSKGGTDGQKSKPSPALNNNDQMKTDTL
UniProt	P51050
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4466
IUPHAR	N/A
DrugBank	N/A

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	AC1Q4F1X SCHEMBL19018 I10-0345 N-(2-(5-methoxyindol-3-yl)ethyl)-Acetamide Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-(9CI) SPECTRUM1500690 KBio2_000665 N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide AK110931 SR-01000075559-6 KS-000048J8 NCGC00015680-05 BIDD:ER0618 TNP00300 M 5250 NCGC00015680-13 CAS-73-31-4 WLN: T56 BMJ D2MV1 GO1 Melatonex NCGC00090727-04 CM-539 Melatonin 1.0 mg/ml in Methanol NCGC00261472-01 DB01065 NSC113928 EINECS 200-797-7 4-ACETAMIDO-4'-ISOTHIO-CYANATOSTILBENE-2,2'-DISULFONIC ACID Prestwick2_000458 Guna-dermo (Salt/Mix) Melatonin, powder, >=98% (TLC) AB00053279 PubChem18245 HMS3370J20 MFCD00005655 MLS001055382 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- (9CI) Sleep Right IN1244 N-acetyl-5-methoxy-tryptamine Melatonine Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-(6CI,8CI) Spectrum4_000066 KBio3_002226 Nature'S Harmony ARONIS24462 ST057260 L001261 NCGC00015680-08 BRD-K97530723-001-11-8 Tox21_201527 M1105 NCGC00015680-16 CHEBI:16796 [3H]-melatonin NCGC00090727-07 D08170 Melatonin, British Pharmacopoeia (BP) Reference Standard NINDS_000353 DRLFMBDRBRZALE-UHFFFAOYSA-N 005M655 Oprea1_814234 FT-0628191 5-Methoxy-N-acetyltryptamine PREVENTION 1 (MELATONIN) (PREVENTION 1) HMS1921E04 Melatonina (TN) AB0007332 RTC-063565 HMS501B15 HY-B0075 MT6 Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- SPBio_001527 KB-178582 N-[2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide ACT03490 SR-01000075559 KM1545 NCGC00015680-03 BCP28154 SW196607-4 LP00787 NCGC00015680-11 BSPBio_003006 UNII-JL5DK93RCL Melapure NCGC00090727-02 ChemDiv2_003916 {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Acetamide Melatonin (synth.) standard-grade NCGC00256404-01 D0M9SI NSC-113928 DSSTox_RID_76585 Prestwick0_000458 GTPL224 PREVENTION 4 (MELATONIN) HMS2233D23 Melatonine; AC1L1A9Q SBB003265 ACE073 SDCCGMLS-0065812.P001 IDI1_000353 N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- Spectrum2_001344 KBio2_003233 N-[2-(5-methoxyindol-3-yl)ethyl]-Acetamide AKOS000276269 SR-01000075559-7 KS-1454 NCGC00015680-06 BPBio1_000590 Tox21_110195 M-1200 NCGC00015680-14 CCG-38837 ZB001948 Melatonex, 73-31-4 NCGC00090727-05 CS-1769 Melatonin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material NCI60_004378 Disodium 4-acetamido-4'-isothiocyanato-stilben-2,2'-disulfonate NSC56423 EU-0100787 4CN-3100 Prestwick3_000458 HMS1380B22 Melatonin, United States Pharmacopeia (USP) Reference Standard AB00053279-10 Revital Melatonin HMS3654A22 ML1 HSCI1_000400 MLS001240204 Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-(9CI) SMP2_000309 J10164 N-Acetyl-5-methoxytryptamine Acetamide, {N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-} Spectrum5_001745 KBioGR_000591 NCGC00015680-01 BAS 01281092 ST24031293 Lopac-M-5250 NCGC00015680-09 BRN 0205542 Tox21_302926 MCULE-1497884152 NCGC00015680-18 [3H]melatonin Melatonin (JAN) NCGC00090727-08 D0AN7B Melatonin, Pharmaceutical Secondary Standard; Certified Reference Material NMR/14327425 DSSTox_CID_2421 0E2B08C1-B325-45B1-8939-6F9081EFDFA4 Pineal Hormone FT-0658928 73-31-4 PREVENTION 2 (MELATONIN) HMS2089F09 Melatonine AB2000011 Rx Balance SC-16475 I05-0076 N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- (9CI) SPBio_002475 KBio1_000353 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-Acetamide AJ-09558 SR-01000075559-1 KS-00000GX9 NCGC00015680-04 BDBM9019 TC-063565 LS-1623 NCGC00015680-12 C01598 Vivitas Melatol NCGC00090727-03 Circadin {N-[2-(5-methoxyindol-3-yl)ethyl]-} Acetamide Melatonin (synth.) ultra-pure NCGC00259077-01 NSC-56423 DTXSID1022421 3-(n-acetyl-2-aminoethyl)-5-methoxyindole Prestwick1_000458 Guna-dermo A4039/0172195 PREVENTION 5 (MELATONIN) HMS3262M16 Melovine AC1Q4F1W Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)- SDCCGMLS-0065812.P002 IDI1_002631 N-acetyl-5-methoxy-tryptamine Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]- (6CI,8CI) Spectrum3_001393 KBio2_005801 N-[2-(5-methoxyindol-3-yl)ethyl]acetamide ANW-42685 SR-01000075559-8 KSC498C4R NCGC00015680-07 BRD-K97530723-001-07-6 Tox21_110195_1 M-1250 NCGC00015680-15 CCRIS 3472 ZINC57060 Melatonex, Melatonin NCGC00090727-06 CTK3J8148 Melatonin, >=99.5% Night Rest DivK1c_000353 Oprea1_104553 F1929-1777 5-22-12-00042 (Beilstein Handbook Reference) Prestwick_312 HMS1569K18 Melatonina AB00053279_12 RP17870 HMS3713K18 MLS000859594 HSDB 7509 MolPort-000-737-883 Acetamide, N-(2-(5-methoxyindol-3-yl)ethyl)- SMR000326666 JL5DK93RCL N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide Acetamide, {N-[2-(5-methoxyindol-3-yl)ethyl]-} Spectrum_000185 KBioSS_000665 NCGC00015680-02 BC200187 STK386880 Lopac0_000787 NCGC00015680-10 BSPBio_000536 Tox21_500787 Mela-T NCGC00090727-01 CHEMBL45 [3H]MLT Melatonin (MLT) NCGC00090727-09 D0B5CB NSC 113928 DSSTox_GSID_22421 Posidorm GTPL1357 8041-44-9 PREVENTION 3 (MELATONIN) HMS2096K18 Melatonine, 99% AC-10019 S1204 [ 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	224, 1357
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	0.7 nM	PMID9873728	ChEMBL
Ki	0.7 nM	PMID9873728	BindingDB
Ki	1.2 nM	PMID9840420	BindingDB
Ki	1.21 nM	PMID9618903	BindingDB

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