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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	DH 97
Molecular formula	C22H26N2O
IUPAC name	N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
Molecular weight	334.463
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	4.9
Synonyms	J-019556 NCGC00025049-01 ACM343263956 CTK8E7620 N-(2-(2-Benzyl-1H-indol-3-yl)ethyl)pentanamide SCHEMBL1626901 220339-00-4 BN0182 DH97 GTPL3366 N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide Tocris-1218 Luzindole,N-pentanoyl NCGC00025049-02 AKOS024456472 D0XX9Y DTXSID90392749 N-pentanoyl 2-benzyltryptamine SR-01000597373 BRD-K06014311-001-01-2 HMS3267D11 N-[2-(2-Benzyl-1H-indole-3-yl)ethyl]pentanamide ZINC2581407 AC1MRF3Z CHEMBL1327247 MolPort-003-983-554 RT-012298 BDBM85384 FT-0763744 N-Pentanoyl-2-benzyltryptamine SR-01000597373-1 343263-95-6 CHEBI:92107 [ Show all ]
Inchi Key	HDOIPCLEKCEANF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
PubChem CID	3467177
ChEMBL	CHEMBL1327247
IUPHAR	3366
BindingDB	85384
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	933.25 nM	PMID9840420	BindingDB

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