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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	Delta-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprd1
Synonym	OP1 MSL-2 K56 DOR-1 DOR DOPr DOP Delta receptor D-OR-1 opioid receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	372
Amino acid sequence	MELVPSARAELQSSPLVNLSDAFPSAFPSAGANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRTPCGRQEPGSLRRPRQATTRERVTACTPSDGPGGGAAA
UniProt	P32300
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	CHEMBL3222
IUPHAR	317
DrugBank	N/A

Ligand

Name	CHEMBL108076
Molecular formula	C24H33N3O2
IUPAC name	(4aR,8aS)-N,N-diethyl-8a-(3-hydroxyphenyl)-3,6-dimethyl-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide
Molecular weight	395.547
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.8
Synonyms	(4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxylic acid diethylamide BDBM50061063 SCHEMBL7488697 3,6-Dimethyl-N,N-diethyl-4,4aalpha,5,6,7,8,8a,9-octahydro-8abeta-(3-hydroxyphenyl)-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide
Inchi Key	DLMLWLMTUDAVSC-MHECFPHRSA-N
Inchi ID	InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
PubChem CID	11795010
ChEMBL	CHEMBL108076
IUPHAR	N/A
BindingDB	50061063
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	2.1 nM	, Bioorg. Med. Chem. Lett., (1997) 7:23:2967, PMID9379438	BindingDB,ChEMBL

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