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