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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	SR-02000000443
Molecular formula	C20H20ClN3O
IUPAC name	4-(benzylamino)-5-chloro-2-(4-propan-2-ylphenyl)pyridazin-3-one
Molecular weight	353.85
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	4-(benzylamino)-5-chloro-2-(4-propan-2-ylphenyl)pyridazin-3-one cid_46835807 5-chloro-4-[(phenylmethyl)amino]-2-(4-propan-2-ylphenyl)-3-pyridazinone 4-(benzylamino)-5-chloro-2-p-cumenyl-pyridazin-3-one CHEMBL1734822 5-chloranyl-4-[(phenylmethyl)amino]-2-(4-propan-2-ylphenyl)pyridazin-3-one SR-02000000443-1 BDBM75914 [ Show all ]
Inchi Key	BUBKAZGCPPCWCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20ClN3O/c1-14(2)16-8-10-17(11-9-16)24-20(25)19(18(21)13-23-24)22-12-15-6-4-3-5-7-15/h3-11,13-14,22H,12H2,1-2H3
PubChem CID	46835807
ChEMBL	CHEMBL1734822
IUPHAR	N/A
BindingDB	75914
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	16200.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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