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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	MLS001030649
Molecular formula	C25H28ClN3O2S
IUPAC name	N-(1-benzylpiperidin-4-yl)-2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
Molecular weight	470.028
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	2-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methylthio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide HMS3536E18 SCHEMBL12007549 SR-01000794112-2 BDBM54498 MLS003882358 cid_20968904 N-(1-benzylpiperidin-4-yl)-2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetamide MCULE-5789151657 SMR000635218 ZINC15942341 MolPort-007-943-891 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide HMS2925N08 N-(1-benzylpiperidin-4-yl)-2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide AKOS002119863 SR-01000794112 CHEMBL1583186 N-(1-benzyl-4-piperidyl)-2-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylthio]acetamide [ Show all ]
Inchi Key	DMUBBYXIJZVCFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28ClN3O2S/c1-18-23(28-25(31-18)20-7-9-21(26)10-8-20)16-32-17-24(30)27-22-11-13-29(14-12-22)15-19-5-3-2-4-6-19/h2-10,22H,11-17H2,1H3,(H,27,30)
PubChem CID	20968904
ChEMBL	CHEMBL1583186
IUPHAR	N/A
BindingDB	54498
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	1289.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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