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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	Neuropeptides B/W receptor type 1
Species	Homo sapiens (Human)
Gene	NPBWR1
Synonym	G protein-coupled receptor 7 G-protein coupled receptor 7 GPR7 neuropeptides B/W receptor type 1 NPBW1 receptor
Disease	N/A
Length	328
Amino acid sequence	MDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA
UniProt	P48145
Protein Data Bank	N/A
GPCR-HGmod model	P48145
3D structure model	This predicted structure model is from GPCR-EXP P48145.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293293
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MLS001013428
Molecular formula	C16H15BrN3+
IUPAC name	5-bromo-1-[(6-methylquinolin-8-yl)methyl]pyridin-1-ium-2-amine
Molecular weight	329.221
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.6
Synonyms	5-bromo-1-[(6-methylquinolin-8-yl)methyl]pyridin-1-ium-2-amine AC1M4MCJ 5-bromanyl-1-[(6-methylquinolin-8-yl)methyl]pyridin-1-ium-2-amine;bromide cid_16196242 5-bromo-1-[(6-methylquinolin-8-yl)methyl]pyridin-1-ium-2-amine;bromide SMR000353420 BDBM62123 5-bromo-1-[(6-methyl-8-quinolinyl)methyl]-2-pyridin-1-iumamine;bromide MCULE-2341770095 [5-bromo-1-[(6-methyl-8-quinolyl)methyl]pyridin-1-ium-2-yl]amine;bromide CHEMBL1626478 [ Show all ]
Inchi Key	FIDZWKWAWKZZKG-UHFFFAOYSA-O
Inchi ID	InChI=1S/C16H14BrN3/c1-11-7-12-3-2-6-19-16(12)13(8-11)9-20-10-14(17)4-5-15(20)18/h2-8,10,18H,9H2,1H3/p+1
PubChem CID	2310853
ChEMBL	N/A
IUPHAR	N/A
BindingDB	62123
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	43807.0 nM	N/A	BindingDB

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