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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	CID 44459074
Molecular formula	C73H105N23O14
IUPAC name	(2S)-6-amino-2-[[(2R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,8S,11S,14S)-2-[(4-hydroxyphenyl)methyl]-8,11-bis(1H-indol-3-ylmethyl)-3,6,9,12,17-pentaoxo-1,4,7,10,13-pentazacycloheptadecane-14-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
Molecular weight	1528.79
Hydrogen bond acceptor	18
Hydrogen bond donor	21
XlogP	-3.5
Synonyms	N/A
Inchi Key	CASBZFCFDPGIIB-VHBDJONYSA-N
Inchi ID	InChI=1S/C73H105N23O14/c1-3-40(2)60(68(107)92-52(21-12-32-83-73(79)80)69(108)96-33-13-22-57(96)67(106)93-53(70(109)110)18-8-9-29-74)95-64(103)50(20-11-31-82-72(77)78)90-62(101)49(19-10-30-81-71(75)76)89-63(102)51-27-28-58(98)87-54(34-41-23-25-44(97)26-24-41)61(100)86-39-59(99)88-55(35-42-37-84-47-16-6-4-14-45(42)47)65(104)94-56(66(105)91-51)36-43-38-85-48-17-7-5-15-46(43)48/h4-7,14-17,23-26,37-38,40,49-57,60,84-85,97H,3,8-13,18-22,27-36,39,74H2,1-2H3,(H,86,100)(H,87,98)(H,88,99)(H,89,102)(H,90,101)(H,91,105)(H,92,107)(H,93,106)(H,94,104)(H,95,103)(H,109,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t40-,49-,50-,51-,52-,53-,54-,55-,56-,57+,60-/m0/s1
PubChem CID	44459074
ChEMBL	CHEMBL414369
IUPHAR	N/A
BindingDB	50126657
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	26.8 nM	PMID12672226	ChEMBL
Ki	27.0 nM	PMID12672226	BindingDB

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