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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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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	155512-49-5 AC1L2SUZ NCGC00024795-01 2-(3,4-dichlorophenyl)-n-methyl-n-[(1s)-1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide ZINC2567731 (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 2-(3,4-Dichloro-phenyl)-N-[(S)-1-(3-isothiocyanato-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide BDBM50035471 SCHEMBL7542731 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 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)- Tocris-0794 (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 [ 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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