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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	CHEMBL511773
Molecular formula	C31H34N2O3
IUPAC name	(1S,2S,16R,24R)-25-(cyclopropylmethyl)-19-methoxy-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)-heptaen-2-ol
Molecular weight	482.624
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM50261727 (5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro-4,5-epoxy-3-methoxy-4'',5'',6'',7''-tetradehydro-azepino[3,2,1-hi]indolo[2'',1'':6,7]morphinan-14-ol
Inchi Key	CNRASBPTPOATLU-CTZUUEIXSA-N
Inchi ID	InChI=1S/C31H34N2O3/c1-35-23-11-10-20-15-24-31(34)16-22-21-7-4-6-19-5-2-3-13-33(26(19)21)27(22)29-30(31,25(20)28(23)36-29)12-14-32(24)17-18-8-9-18/h4,6-7,10-11,18,24,29,34H,2-3,5,8-9,12-17H2,1H3/t24-,29+,30+,31-/m1/s1
PubChem CID	24949689
ChEMBL	CHEMBL511773
IUPHAR	N/A
BindingDB	50261727
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	16.98 nM	PMID18637671	ChEMBL

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