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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL159793
Molecular formula	C32H43N5O7S2
IUPAC name	(4R,7R,13R)-13-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight	673.844
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	0.1
Synonyms	BDBM50000335 13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid
Inchi Key	APQOTCXUXCKVTP-BKJQLSFMSA-N
Inchi ID	InChI=1S/C32H43N5O7S2/c1-17-12-20(38)13-18(2)21(17)15-22(33)27(40)36-25-29(42)34-16-24(39)35-23(14-19-10-8-7-9-11-19)28(41)37-26(30(43)44)32(5,6)46-45-31(25,3)4/h7-13,22-23,25-26,38H,14-16,33H2,1-6H3,(H,34,42)(H,35,39)(H,36,40)(H,37,41)(H,43,44)/t22-,23+,25+,26+/m0/s1
PubChem CID	44374513
ChEMBL	CHEMBL159793
IUPHAR	N/A
BindingDB	50000335
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	58.0 nM	PMID1311764	BindingDB
Ki	58.3 nM	PMID1311764	ChEMBL

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