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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	CHEMBL303301
Molecular formula	C27H34N2O3
IUPAC name	(2S,9R)-5-butyl-18-(cyclopropylmethyl)-6-methyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol
Molecular weight	434.58
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.6
Synonyms	5-butyl-18-cyclopropylmethyl-6-methyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol BDBM50058657
Inchi Key	BTCOKWCUDKSNMX-NNMXSAHVSA-N
Inchi ID	InChI=1S/C27H34N2O3/c1-3-4-5-18-15(2)28-23-19(18)13-27(31)21-12-17-8-9-20(30)24-22(17)26(27,25(23)32-24)10-11-29(21)14-16-6-7-16/h8-9,16,21,25,28,30-31H,3-7,10-14H2,1-2H3/t21?,25-,26?,27+/m0/s1
PubChem CID	44302610
ChEMBL	CHEMBL303301
IUPHAR	N/A
BindingDB	50058657
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	57.0 nM	PMID9207938	BindingDB,ChEMBL

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