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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Kappa-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRK1
Synonym	K-OR-1 KOR-1
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProt	P41144
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	CHEMBL3952
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1834902
Molecular formula	C42H49N3O8
IUPAC name	(4R,4aS,7S,7aR,12bS)-7-[(2'R,4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-2H-1,3-oxazole]-2'-yl]-3-(cyclopropylmethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Molecular weight	723.867
Hydrogen bond acceptor	11
Hydrogen bond donor	5
XlogP	2.3
Synonyms	BDBM50354997
Inchi Key	ASLJLOBODNWHRX-TVATVUHRSA-N
Inchi ID	InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36-,37-,38+,39+,40+,41-,42-/m1/s1
PubChem CID	56679793
ChEMBL	CHEMBL1834902
IUPHAR	N/A
BindingDB	50354997
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.656 nM	PMID21889335	ChEMBL
Ki	1.7 nM	PMID21889335	BindingDB

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