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GLASS

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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	CHEMBL379297
Molecular formula	C24H23N3
IUPAC name	3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight	353.469
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.7
Synonyms	3-(1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine AWKSCYYXWJOSAA-UHFFFAOYSA-N 3-(1-acenaphthen-1-yl-piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine BDBM50185800 SCHEMBL5147562
Inchi Key	AWKSCYYXWJOSAA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N3/c1-4-17-5-2-7-20-22(14-18(6-1)23(17)20)27-12-9-16(10-13-27)21-15-26-24-19(21)8-3-11-25-24/h1-8,11,15-16,22H,9-10,12-14H2,(H,25,26)
PubChem CID	16007142
ChEMBL	CHEMBL379297
IUPHAR	N/A
BindingDB	50185800
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	2780.0 nM	PMID16632355	BindingDB,ChEMBL

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