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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	MLS000566658
Molecular formula	C20H21BrN4O2S
IUPAC name	1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one
Molecular weight	461.378
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.0
Synonyms	1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-1-one BDBM97072 SMR000153579 1-(4-bromophenyl)-4-{[4-(2-methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-1-one cid_2464572 AC1M7BXJ MLS003913149 1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Z19476117 851214-13-6 MCULE-9111483533 AKOS033685712 MolPort-004-070-684 1-(4-bromophenyl)-4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-butanone CHEMBL1321513 ZINC3347762 [ Show all ]
Inchi Key	ATZWZUMLSKQWHU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21BrN4O2S/c1-27-13-12-25-19(16-8-10-22-11-9-16)23-24-20(25)28-14-2-3-18(26)15-4-6-17(21)7-5-15/h4-11H,2-3,12-14H2,1H3
PubChem CID	2464572
ChEMBL	CHEMBL1321513
IUPHAR	N/A
BindingDB	97072
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	5943.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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