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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	(+)-Cyclazocine
Molecular formula	C18H25NO
IUPAC name	(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight	271.404
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.6
Synonyms	RIH052ANA4 (2S,6S,11S)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol CAS-7313-87-3 DSSTox_GSID_49011 UNII-RIH052ANA4 2,6-Methano-3-benzazocin-8-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2S,6S,11S)- Cyclazocine (+) Lopac-C-147 (+)-cis-Cyclazocine 7313-87-3 d-Cyclazocine NCGC00093797-03 Tox21_113513 (2S,6S,11S)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol DSSTox_RID_83203 3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol CYCLAZOCINE (-) MCV-4511 BDBM50001022 DSSTox_CID_28937 NIH-10449 UNII-J5W1B1159C component YQYVFVRQLZMJKJ-UUWFMWQGSA-N (SSS)-12-Cyclopropylmethyl-13-methyl-12-aza-tricyclo[9.1.1.03,8]trideca-3(8),4,6-trien-6-ol(cyclazocine) CHEMBL293349 DTXSID1049011 (+)-alpha-Cyclazocine Cyclazocine, (+)- NCGC00015189-01 [ Show all ]
Inchi Key	YQYVFVRQLZMJKJ-UUWFMWQGSA-N
Inchi ID	InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m1/s1
PubChem CID	6603759
ChEMBL	CHEMBL293349
IUPHAR	N/A
BindingDB	50001022
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	0.1 nM	PMID9686407	BindingDB

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