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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	MLS000833548
Molecular formula	C18H17F5N4S
IUPAC name	N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide
Molecular weight	416.414
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM97129 N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbothioamide SR-01000767790-2 cid_2795668 N-[2,4-bis(fluoranyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide SMR000457069 N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide ZINC13656600 HMS2782N03 N1-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide AC1MDTWJ MolPort-002-888-591 SR-01000767790 CHEMBL1386344 N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide MCULE-8082044837 SCHEMBL17457020 [ Show all ]
Inchi Key	AGZFUQYIGOLWBU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17F5N4S/c19-13-3-4-15(14(20)10-13)25-17(28)27-7-1-6-26(8-9-27)16-5-2-12(11-24-16)18(21,22)23/h2-5,10-11H,1,6-9H2,(H,25,28)
PubChem CID	2795668
ChEMBL	CHEMBL1386344
IUPHAR	N/A
BindingDB	97129
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	142.05 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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