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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	Mus musculus (Mouse)
Gene	Oprk1
Synonym	MSL-1 KOR-1 KOPr KOP Kappa receptor K-OR-1 OP2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProt	P33534
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4329
IUPHAR	318
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	BDBM50058657 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
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	39.0 nM	PMID9207938	BindingDB,ChEMBL

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