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GLASS

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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	CHEMBL469027
Molecular formula	C30H32N2O3
IUPAC name	(1S,2S,16R,24R)-25-(cyclopropylmethyl)-17-oxa-14,25-diazaoctacyclo[16.9.1.15,9.01,16.02,24.04,15.022,28.014,29]nonacosa-4(15),5,7,9(29),18,20,22(28)-heptaene-2,19-diol
Molecular weight	468.597
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50261726 (5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro-4,5-epoxy-4'',5'',6'',7''-tetradehydro-azepino[3,2,1-hi]indolo[2'',1'':6,7]morphinan-3,14-diol
Inchi Key	FLBOXTBSDMMGNU-UJLGHMMASA-N
Inchi ID	InChI=1S/C30H32N2O3/c33-22-10-9-19-14-23-30(34)15-21-20-6-3-5-18-4-1-2-12-32(25(18)20)26(21)28-29(30,24(19)27(22)35-28)11-13-31(23)16-17-7-8-17/h3,5-6,9-10,17,23,28,33-34H,1-2,4,7-8,11-16H2/t23-,28+,29+,30-/m1/s1
PubChem CID	24949687
ChEMBL	CHEMBL469027
IUPHAR	N/A
BindingDB	50261726
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	51.29 nM	PMID18637671	ChEMBL

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