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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	Mu-type opioid receptor
Species	Rattus norvegicus (Rat)
Gene	Oprm1
Synonym	Opioid receptor B opioid receptor OP3 mu receptor MOR-1 MOPr MOP M-OR-1 opioid receptor, mu 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P33535
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	CHEMBL270
IUPHAR	319
DrugBank	N/A

Ligand

Name	CHEMBL278889
Molecular formula	C33H38N6O6
IUPAC name	(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(3R,6R,14S)-3-(naphthalen-2-ylmethyl)-2,5,10,13-tetraoxo-1,4,9,12-tetrazabicyclo[12.3.0]heptadecan-6-yl]propanamide
Molecular weight	614.703
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	1.8
Synonyms	(S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5R,8R,15aS)-5-naphthalen-2-ylmethyl-4,7,12,15-tetraoxo-tetradecahydro-3a,6,11,14-tetraaza-cyclopentacyclotetradecen-8-yl)-propionamide BDBM50041149
Inchi Key	AKLNDWRVJOAYFT-HFLBTKGNSA-N
Inchi ID	InChI=1S/C33H38N6O6/c34-25(17-20-8-11-24(40)12-9-20)30(42)37-26-13-14-35-29(41)19-36-32(44)28-6-3-15-39(28)33(45)27(38-31(26)43)18-21-7-10-22-4-1-2-5-23(22)16-21/h1-2,4-5,7-12,16,25-28,40H,3,6,13-15,17-19,34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43)/t25-,26+,27+,28-/m0/s1
PubChem CID	44269828
ChEMBL	CHEMBL278889
IUPHAR	N/A
BindingDB	50041149
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
Ki	6.4 nM	PMID8164255	BindingDB
Ki	6.41 nM	PMID8164255	ChEMBL
Relative potency	1.47 -	PMID8164255	ChEMBL

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