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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	Ketobemidone
Molecular formula	C15H21NO2
IUPAC name	1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
Molecular weight	247.338
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.0
Synonyms	SCHEMBL24574 1-(4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl)-1-propanone 1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-propanone # A 21 Lundbeck Cetobemidona CHEMBL47072 CS-6592 DTXSID00196977 K 4710 KETONE, ETHYL 4-(m-HYDROXYPHENYL)-1-METHYLPIPERIDYL WLN: T6NTJ A1 BV2 DR CQ 1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)- 4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl ethyl ketone ALFGKMXHOUSVAD-UHFFFAOYSA-N Cetobemidone [INN-French] Ciba 7115 Cymidon (VAN) Ethyl [4-(m-hydroxyphenyl)-1-methyl]-4-piperidyl ketone Ketobemidone [INN:BAN] LS-87203 1-(4-(3-hydroxyphenyl)-1- methyl-4-piperidinyl)-1-propanone 1-Propanone, 1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]- 469-79-4 C11792 CHEBI:6125 Cliradone DB06738 Hoechst 10720 Ketogae NSC117863 UNII-PQS1L514CF 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one AC1L1UHQ Cetobemidona [INN-Spanish] Chetobemidone Cymidoe EINECS 207-421-0 Ketorax ZINC1600 1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)- (8CI) 4-(m-Hydroxyphenyl)-1-methyl-4-propionylpiperidine API0014235 Cetobemidonum Cliradoe D08100 Ethyl {[4-(m-hydroxyphenyl)-1-methyl]-4-piperidyl} ketone Ketobemidonum NSC 117863 1-(4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl)-1-propanone 1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-propanone 5965-49-1 (hydrochloride) Cetobemidon Cliradon\|\|\|Ketobemidone DEA No. 9628 HY-B2092 Ketogan PQS1L514CF WIN 1539 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- (9CI) 1-[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone AKOS022507096 Cetobemidone Chetobemidone [DCIT] Cymidon Ethyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl ketone Ketobemidone (INN) KEYTOBEMIDONE HYDROCHLORIDE {1-[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone} 1-Propanone, 1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl]- 4-21-00-06106 (Beilstein Handbook Reference) BRN 0218226 Cetobemidonum [INN-Latin] Cliradon FT-0670614 Ketodur NSC-117863 [ Show all ]
Inchi Key	ALFGKMXHOUSVAD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
PubChem CID	10101
ChEMBL	CHEMBL47072
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB06738
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	7.0 nM	PMID1433169	ChEMBL
ED50	70.0 nM	PMID1433169	ChEMBL
Ratio	7.0 -	PMID1433169	ChEMBL

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