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GLASS

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GPCR

Name	Galanin receptor type 3
Species	Homo sapiens (Human)
Gene	GALR3
Synonym	GAL3-R Galnr3 GALR-3 GALR3 GAL3 receptor
Disease	Cognitive disorders
Length	368
Amino acid sequence	MADAQNISLDSPGSVGAVAVPVVFALIFLLGTVGNGLVLAVLLQPGPSAWQEPGSTTDLFILNLAVADLCFILCCVPFQATIYTLDAWLFGALVCKAVHLLIYLTMYASSFTLAAVSVDRYLAVRHPLRSRALRTPRNARAAVGLVWLLAALFSAPYLSYYGTVRYGALELCVPAWEDARRRALDVATFAAGYLLPVAVVSLAYGRTLRFLWAAVGPAGAAAAEARRRATGRAGRAMLAVAALYALCWGPHHALILCFWYGRFAFSPATYACRLASHCLAYANSCLNPLVYALASRHFRARFRRLWPCGRRRRHRARRALRRVRPASSGPPGCPGDARPSGRLLAGGGQGPEPREGPVHGGEAARGPE
UniProt	O60755
Protein Data Bank	N/A
GPCR-HGmod model	O60755
3D structure model	This predicted structure model is from GPCR-EXP O60755.
BioLiP	N/A
Therapeutic Target Database	T98494
ChEMBL	CHEMBL2731
IUPHAR	245
DrugBank	N/A

Ligand

Name	SMR000147834
Molecular formula	C20H18N6O3S
IUPAC name	4,6-diamino-14-(3,4-dimethoxyphenyl)-8-imino-12-oxo-9-thia-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5-tetraene-5-carbonitrile
Molecular weight	422.463
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	1.0
Synonyms	2,4-diamino-10-(3,4-dimethoxyphenyl)-8-hydroxy-5-imino-9,10-dihydro-5H-thiopyrano[2,3-b:4,5-b']dipyridine-3-carbonitrile cid_6077070 STK636556 AKOS005568493 MLS000556517 REGID_for_CID_6077070 6,8-Diamino-4-(3,4-dimethoxy-phenyl)-9-imino-2-oxo-1,3,4,9-tetrahydro-2H-10-thia-1,5-diaza-phenant hrene-7-carbonitrile HMS2383D24 AKOS030519743 MolPort-002-585-162 2,4-diamino-10-(3,4-dimethoxyphenyl)-5-imino-8-oxo-7,8,9,10-tetrahydro-5H-thiopyrano[2,3-b:4,5-b']dipyridine-3-carbonitrile CHEMBL1361038 647830-21-5 MCULE-8996116510 BDBM97076 MolPort-005-979-928 [ Show all ]
Inchi Key	DGBHQVQZJNSRNC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N6O3S/c1-28-11-4-3-8(5-12(11)29-2)9-6-13(27)25-20-14(9)17-15(19(24)30-20)16(22)10(7-21)18(23)26-17/h3-5,9,24H,6H2,1-2H3,(H,25,27)(H4,22,23,26)
PubChem CID	4352110
ChEMBL	CHEMBL1361038
IUPHAR	N/A
BindingDB	N/A
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	2284.0 nM	PubChem BioAssay data set	ChEMBL

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