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GPCR

Name	Kappa-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRK1
Synonym	K-OR-1 KOPr OP2 KOP KOR-1 Kappa receptor [ Show all ]
Disease	Obesity Opiate dependence Inflammatory bowel disease Erythema Diarrhea-predominant IBS Unspecified Bipolar disorder Alcohol use disorders Pain Substance dependence Neurodegenerative disease [ Show all ]
Length	380
Amino acid sequence	MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProt	P41145
Protein Data Bank	6b73, 4djh
GPCR-HGmod model	P41145
3D structure model	This structure is from PDB ID 6b73.
BioLiP	BL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target Database	T60693
ChEMBL	CHEMBL237
IUPHAR	318
DrugBank	BE0000632

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	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 WLN: T6NTJ A1 BV2 DR CQ 1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)- 1-Propanone, 1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]- 469-79-4 C11792 CHEBI:6125 Cliradone DB06738 Hoechst 10720 Ketogae NSC117863 1-(4-(3-hydroxyphenyl)-1- methyl-4-piperidinyl)-1-propanone 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one AC1L1UHQ Cetobemidona [INN-Spanish] Chetobemidone Cymidoe EINECS 207-421-0 Ketorax UNII-PQS1L514CF 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- 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 ZINC1600 1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-propanone 5965-49-1 (hydrochloride) Cetobemidon Cliradon\|\|\|Ketobemidone DEA No. 9628 HY-B2092 Ketogan PQS1L514CF 1-(4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl)-1-propanone 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 WIN 1539 1-Propanone, 1-(4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl)- (9CI) 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 {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 SCHEMBL24574 1-(4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl)-1-propanone [ 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
	N/A	N/A	DrugBank

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