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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	DADLE
Molecular formula	C29H39N5O7
IUPAC name	(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight	569.659
Hydrogen bond acceptor	8
Hydrogen bond donor	7
XlogP	-1.9
Synonyms	2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid FT-0774214 Tyr-D-Ala-Gly-Phe-D-Leu (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid AC1OCEJN D06YMS H-TYR-D-ALA-GLY-PHE-D-LEU-OH [D-Ala2, D-Leu5]-enkephalin BW-180C MolPort-023-276-930 CHEMBL340032 GTPL1607 UNII-HB4QD9GL6F (2R,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-2-isobutyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic acid AKOS024457800 D0R0OG HB4QD9GL6F [D-Ala2-D-Leu5]enkephalin 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid C-54714 DADLE-OH SCHEMBL11124725 (2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-methylpentanoic acid 63631-40-3 CS-0025794 H-Tyr-D-Ala-Gly-Phe-D-Leu ZINC14952092 (D-Ala2,D-Leu5)-Enkephalin BDBM21025 DADL HY-105343 [ Show all ]
Inchi Key	ZHUJMSMQIPIPTF-IBURTVSXSA-N
Inchi ID	InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1
PubChem CID	6917707
ChEMBL	CHEMBL340032
IUPHAR	1607
BindingDB	21025
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.7 nM	PMID7739011	BindingDB
IC50	1.71 nM	PMID7739011	ChEMBL
IC50	4404.0 nM	PMID8642567	BindingDB,ChEMBL
Ki	<10000.0 nM	PMID9686407	BindingDB

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