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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.
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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	CHEMBL1834415
Molecular formula	C29H40ClNO4
IUPAC name	(1S,2S,6R,14R,15R,16R)-9-chloro-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-11-ol
Molecular weight	502.092
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.6
Synonyms	BDBM50354576
Inchi Key	ARMVYVANYSKLSH-LDFHUFRKSA-N
Inchi ID	InChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
PubChem CID	56661555
ChEMBL	CHEMBL1834415
IUPHAR	N/A
BindingDB	50354576
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	0.0 %	PMID21866885	ChEMBL
Ki	45.6 nM	PMID21866885	ChEMBL
Ki	46.0 nM	PMID21866885	BindingDB

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