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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	Osanetant
Molecular formula	C35H41Cl2N3O2
IUPAC name	N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide
Molecular weight	606.632
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	7.0
Synonyms	AC1L560J GTPL3480 N-(1-(3-((R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidyl)propyl)-4-phenyl-4-piperidyl)-N-methylacetamide SR 142801 [3H]osanetant AKOS015895948 D0M7DJ LS-185126 N-[1-[3-[(3R)-1-(benzoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide PDSP2_001479 SR-142801 BDBM50291261 FT-0689956 MolPort-006-170-013 NCGC00263110-01 SMR004701389 UNII-K7G81N94DT AC1Q3O5K CHEMBL346178 I06-1312 n-(1-{3-[(3r)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl}-4-phenylpiperidin-4-yl)-n-methylacetamide Osanetant [INN] SR-142,801 [3H]SR142,801 (S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]prop-1-yl)-4-phenylpiperidin-4-yl)-N-methylacetamine AN-16905 LS-187093 N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidyl]propyl]-4-phenyl-4-piperidyl]-N-methyl-acetamide SB-236984 SR-142806 BRD-K15646852-001-01-5 GTPL2110 N-(1-(3-((3R)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl)propyl)-4-phenyl-4-piperidinyl)-N-methylacetamide NCGC00263110-02 SR 142,806 ZINC3935475 Acetamide, N-(1-(3-(1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl)propyl)-4-phenyl-4-piperidinyl)-N-methyl-, (R)- D0IP6X K7G81N94DT N-(1-{3-[(R)-1-Benzoyl-3-(3,4-dichloro-phenyl)-piperidin-3-yl]-propyl}-4-phenyl-piperidin-4-yl)-N-methyl-acetamide PDSP1_001495 SR-14280 [3H]SR142801 160492-56-8 BCP9001032 DB04872 MLS006010325 N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide SCHEMBL119440 SR142801 [ Show all ]
Inchi Key	DZOJBGLFWINFBF-UMSFTDKQSA-N
Inchi ID	InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
PubChem CID	219077
ChEMBL	CHEMBL346178
IUPHAR	2110
BindingDB	50291261
DrugBank	DB04872
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	75.0 %	PMID25738882	ChEMBL
Inhibition	100.0 %	PMID25738882	ChEMBL

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