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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	1-(cyclohexylmethyl)pyrrolidine
Molecular formula	C11H21N
IUPAC name	1-(cyclohexylmethyl)pyrrolidine
Molecular weight	167.296
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.1
Synonyms	CHEMBL2030634 N-(Cyclohexylmethyl)Pyrrolidine BDBM50384293 CTK1E5996 AC1L582T Pyrrolidine, 1-(cyclohexylmethyl)- 5005-27-6 DTXSID70276775 AKOS022300170 SCHEMBL3439882 [ Show all ]
Inchi Key	ADGIWWYGVBZYMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H21N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h11H,1-10H2
PubChem CID	199798
ChEMBL	CHEMBL2030634
IUPHAR	N/A
BindingDB	50384293
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>50.0 %	PMID22607684	ChEMBL

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