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