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GPCR

Name	Melatonin receptor type 1B
Species	Homo sapiens (Human)
Gene	MTNR1B
Synonym	MT2 receptor mel1b receptor Mel-1B-R
Disease	Epilepsy
Length	362
Amino acid sequence	MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
UniProt	P49286
Protein Data Bank	N/A
GPCR-HGmod model	P49286
3D structure model	This predicted structure model is from GPCR-EXP P49286.
BioLiP	N/A
Therapeutic Target Database	T48268
ChEMBL	CHEMBL1946
IUPHAR	288
DrugBank	BE0000327

Ligand

Name	N-Acetyl-5-hydroxytryptamine
Molecular formula	C12H14N2O2
IUPAC name	N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight	218.256
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	0.5
Synonyms	C-11937 PDSP1_001650 CTK8A9435 SCHEMBL422165 EINECS 214-916-5 Spectrum_000369 HMS502B10 VZ33043 KBio2_005985 MCULE-4114943625 N-acetyl serotonine 5-Hydroxy-N-acetyltryptamine N-Acetylserotonin\|\|\|Normelatonin AC1L1AAB NCGC00015039-02 acetylserotonin NCGC00093558-03 CCG-204140 PDSP1_001827 DB-007732 SMR000326772 FT-0629855 ST092857 IDI1_000668 KBioSS_000849 MolPort-001-736-385 N-Acetyl-5-hydroxytryptamine, 99% 7D6F82BE-C205-424F-9F26-65CE227610C0 N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamide AC1Q5P6T NCGC00015039-05 ANW-17558 NCGC00260729-01 O-Demethylmelatonin CHEMBL33103 PDSP2_001773 DivK1c_000668 Spectrum4_001268 HMS3260I09 Tryptamine, N-acetyl-5-hydroxy- KBio2_000849 Lopac0_000044 N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamide N-acetylserotonin A1277 N-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]ethanamide Acetamide,N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]- NCGC00093558-01 BRD-K26140483-001-01-3 C00978 PDSP1_001789 D00PDI Serotonin, N-acetyl- EU-0100044 SR-01000075660 HY-107854 ZB002533 KBio3_002844 MFCD00005656 N-acetyl-5-HT 5-Hydroxymelatonin N-Acetyltryptamine,5-Hydroxy AC1Q1L67 NCGC00015039-03 ACMC-1BO7I NCGC00093558-04 NINDS_000668 CHEBI:17697 PDSP2_001634 DB04275 SPECTRUM1500700 GTPL5451 TC-106303 KB-79213 L000433 MVAWJSIDNICKHF-UHFFFAOYSA-N N-Acetyl-5-hydroxytryptamine, >=99% (TLC), powder A 1824 N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamide # Acetamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]- NCGC00015039-06 API0003477 P4TO3C82WV CS-0030736 PDSP2_001810 DTXSID00153106 Spectrum5_000975 HMS3372M05 UNII-P4TO3C82WV KBio2_003417 LP00044 N-ACETYL SEROTONIN 3-(2-Acetamidoethyl)-5-hydroxyindole N-Acetylserotonin; Normelatonin A804654 NCGC00015039-01 Acetyl-5-hydroxy-tryptamine NCGC00093558-02 BSPBio_003342 CC-32273 PDSP1_001790 D0F9ZW Serotonin,N-acetyl FT-0080684 SR-01000075660-1 I10-0829 ZINC66104 KBioGR_001856 MLS000859911 7506AH N-[2-(5-Hydroxy-1H-indol-3-yl)-ethyl]-acetamide AC1Q1L68 NCGC00015039-04 AKOS004120085 NCGC00093558-05 Normelatonin PDSP2_001772 Desmethylmelatonin Spectrum3_001871 HMS2235E22 Tox21_500044 KBio1_000668 Lopac-A-1824 N-(2-(5-hydroxy-1H-indol-3-yl)ethyl) acetamide 1210-83-9 N-acetyl-serotonin A-1300 N-[2-(5-hydroxyindol-3-yl)ethyl]acetamide Acetamide, N-[2-(5-hydroxyindol-3-yl)ethyl]- NCGC00015039-07 BDBM29612 [ Show all ]
Inchi Key	MVAWJSIDNICKHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
PubChem CID	903
ChEMBL	CHEMBL33103
IUPHAR	N/A
BindingDB	29612
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	0.77 -	PMID12672242	ChEMBL
Ki	147.91 nM	PMID9618428	PDSP,BindingDB
Ki	189.0 nM	PMID9089668	PDSP,BindingDB
Ki	210.0 nM	PMID9618903	BindingDB
Ki	301.99 nM	PMID9618428	BindingDB
Ki	338.84 nM	PMID10455277	PDSP,BindingDB

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