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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	MLS001215955
Molecular formula	C24H30O5
IUPAC name	(9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular weight	398.499
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.4
Synonyms	(9S,10S,13R,17R)-13-methyl-3,5-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde CHEMBL1344346 (9S,10S,13R,17R)-3,5-dihydroxy-17-(6-ketopyran-3-yl)-13-methyl-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde MCULE-6300906836 BDBM97138 SMR000544671 (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde cid_16407310 (9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde HMS2880O22 AKOS032436289 MolPort-002-535-376 [ Show all ]
Inchi Key	GINUJYZEMXGGKW-ZIRAPXTMSA-N
Inchi ID	InChI=1S/C24H30O5/c1-22-9-8-20-17(7-11-24(28)12-16(26)6-10-23(20,24)14-25)19(22)4-3-18(22)15-2-5-21(27)29-13-15/h2,4-5,13-14,16-18,20,26,28H,3,6-12H2,1H3/t16?,17?,18-,20-,22+,23-,24?/m0/s1
PubChem CID	16407310
ChEMBL	CHEMBL1344346
IUPHAR	N/A
BindingDB	97138
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	<29908.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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