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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	BAS 03293908
Molecular formula	C13H14N4O2
IUPAC name	4-N,4-N-dimethyl-1-N-(5-nitropyridin-2-yl)benzene-1,4-diamine
Molecular weight	258.281
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.7
Synonyms	AC1MK008 HMS2818A18 SMR000518458 BDBM62136 MolPort-000-994-389 4-N,4-N-dimethyl-1-N-(5-nitropyridin-2-yl)benzene-1,4-diamine cid_3146301 N4,N4-dimethyl-N1-(5-nitro-2-pyridinyl)benzene-1,4-diamine AKOS000286379 MCULE-7959975505 STK201634 N,N-Dimethyl-N'-(5-nitro-pyridin-2-yl)-benzene-1,4-diamine dimethyl-[4-[(5-nitro-2-pyridyl)amino]phenyl]amine N4,N4-dimethyl-N1-(5-nitropyridin-2-yl)benzene-1,4-diamine MLS001202623 ZINC4739848 CHEMBL1595945 N,N-dimethyl-N'-(5-nitropyridin-2-yl)benzene-1,4-diamine [ Show all ]
Inchi Key	AGZODCUWCYNXLW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14N4O2/c1-16(2)11-5-3-10(4-6-11)15-13-8-7-12(9-14-13)17(18)19/h3-9H,1-2H3,(H,14,15)
PubChem CID	3146301
ChEMBL	CHEMBL1595945
IUPHAR	N/A
BindingDB	62136
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	PubChem BioAssay data set	ChEMBL
IC50	43807.0 nM	N/A	BindingDB

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