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GLASS

You can:

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	Mu-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprm1
Synonym	opioid receptor, mu 1 opioid receptor OP3 Mu receptor MOR-1 MOPr MOP M-OR-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P42866
Protein Data Bank	4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4dkl.
BioLiP	BL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2858
IUPHAR	319
DrugBank	N/A

Ligand

Name	DIPPA
Molecular formula	C22H23Cl2N3OS
IUPAC name	2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
Molecular weight	448.406
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.0
Synonyms	(S)-3,4-Dichloro-N-(1-(3-isothiocyanatophenyl) 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide KB-279891 SCHEMBL7542731 2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide BDBM50035471 2-(3,4-Dichlorophenyl)-N-methyl-N-[(S)-1-(3-isothiocyanatophenyl)-2-pyrrolizinoethyl]acetamide CHEMBL38521 (S)-3,4-Dichloro-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-N-methylbenzeneacetamide LS-182243 Tocris-0794 2-(3,4-Dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide Benzeneacetamide, 3,4-dichloro-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-N-methyl-, (S)- (S)-2-(3,4-dichlorophenyl)-N-(1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide 2-(3,4-Dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]-N-methylacetamide 155512-49-5 AC1L2SUZ NCGC00024795-01 ZINC2567731 2-(3,4-dichlorophenyl)-n-methyl-n-[(1s)-1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide [ Show all ]
Inchi Key	BNAKCEFXXMHXDQ-OAQYLSRUSA-N
Inchi ID	InChI=1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1
PubChem CID	127914
ChEMBL	CHEMBL38521
IUPHAR	N/A
BindingDB	50035471
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
ED50 ratio	1.8 -	PMID7799399	ChEMBL
ED50 ratio	3.03 -	PMID7799399	ChEMBL
Ratio	1.3 -	PMID8201586	ChEMBL
Ratio	3.03 -	PMID8201586	ChEMBL

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