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GLASS

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GPCR

Name	Mu-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprm1
Synonym	opioid receptor, mu 1 opioid receptor OP3 Mu receptor MOR-1 MOPr MOP M-OR-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P42866
Protein Data Bank	4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4dkl.
BioLiP	BL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2858
IUPHAR	319
DrugBank	N/A

Ligand

Name	TAN-67
Molecular formula	C23H24N2O
IUPAC name	3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol
Molecular weight	344.458
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	(-)TAN-67 SB-205,607 (-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a-octahydropyrido[3,4-b]acridin-4a-yl)phenol C20168 3-((4aS,12aR)-2-Methyl-1,3,4,5,12,12a-hexahydro-2H-2,6-diaza-naphthacen-4a-yl)-phenol CHEMBL327745 SB-213698 (-)-TAN-67 CHEBI:124990 ZINC3995327 3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol GTPL9567 BDBM50290872 SCHEMBL12013211 [ Show all ]
Inchi Key	LEPBHAAYNPPRRA-WMZHIEFXSA-N
Inchi ID	InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1
PubChem CID	9950038
ChEMBL	CHEMBL327745
IUPHAR	9567
BindingDB	50290872
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	59.6 nM	Bioorg. Med. Chem. Lett., (1997) 7:23:2967	ChEMBL
Ki	60.0 nM	N/A	BindingDB
Ki	284.14 nM	PMID20850307	BindingDB,ChEMBL

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