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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.
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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	CHEMBL593613
Molecular formula	C21H26N4O
IUPAC name	3-[2-(4-tert-butylphenyl)-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]phenol
Molecular weight	350.466
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	SCHEMBL14205947 3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol BDBM50304076
Inchi Key	AFYXROWBOMSTBN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N4O/c1-21(2,3)16-9-11-17(12-10-16)25-20(15-7-6-8-18(26)13-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
PubChem CID	25000426
ChEMBL	CHEMBL593613
IUPHAR	N/A
BindingDB	50304076
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	183.7 %	PMID19646882	ChEMBL
IC50	121.0 nM	PMID19646882	BindingDB,ChEMBL

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