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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	Vanoxerine
Molecular formula	C28H32F2N2O
IUPAC name	1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
Molecular weight	450.574
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.6
Synonyms	Vanoxerina 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine API0015860 BRD-K32501161-001-01-7 Gbr 12909 LS-187205 NCGC00024581-01 Prestwick3_000386 Vanoxerine [INN] 67469-69-6 BCPP000022 BSPBio_000571 D-052 GTPL9983 NCGC00015300-02 NCI60_038175 SPBio_002492 ZINC22034135 1-(2-bis-[4-FLUOROPHENYL]-METHOXYETHYL)-4-(3-PHENYL-2-PROPYL)PIPERAZINE AC1L1FZ5 BPBio1_000629 CCG-204538 DivK1c_006996 Lopac-D-052 NCGC00015300-07 Prestwick1_000386 UNII-90X28IKH43 Vanoxerina [INN-Spanish] API0024562 BRD-K32501161-300-03-9 CHEMBL281594 GBR-12909 NAUWTFJOPJWYOT-UHFFFAOYSA-N NCGC00024581-02 SB16842 Vanoxerinum 1-(2-(Bis(p-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine 90X28IKH43 BDBM22165 C28H32F2N2O D0N2HF HY-13217A NCGC00015300-03 Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)- SpecPlus_000900 Vanoxeamine 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine AKOS003588978 BPBio1_001141 CHEBI:64089 DTXSID8045143 Lopac0_000446 NCGC00015300-08 Prestwick2_000386 4145AH BCP21322 BRD-K32501161-300-04-7 CS-2714 GBR12909 NCGC00015300-01 NCGC00024581-03 SCHEMBL246574 Vanoxerinum [INN-Latin] 1-(2-BIS -[4-FLUOROPHENYL]- METHOXYETHYL)-4-(3-PHENYL- 2-PROPYL)PIPERAZINE AB00053750 Biomol-NT_000010 CAS-67469-78-7 DB03701 KBio1_001940 NCGC00015300-04 Prestwick0_000386 Tocris-0421 [ Show all ]
Inchi Key	NAUWTFJOPJWYOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
PubChem CID	3455
ChEMBL	CHEMBL281594
IUPHAR	N/A
BindingDB	22165
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2140.0 nM	PMID11585444	BindingDB

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