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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	CHEMBL132776
Molecular formula	C31H43N7O8
IUPAC name	(2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular weight	641.726
Hydrogen bond acceptor	9
Hydrogen bond donor	9
XlogP	-0.4
Synonyms	(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide BDBM50281550
Inchi Key	AAKKFHPDZYQOJN-QORCZRPOSA-N
Inchi ID	InChI=1S/C31H43N7O8/c1-18(2)12-23(30(45)38-25(17-39)28(33)43)37-31(46)24(14-19-6-4-3-5-7-19)36-27(42)16-34-26(41)15-35-29(44)22(32)13-20-8-10-21(40)11-9-20/h3-11,18,22-25,39-40H,12-17,32H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)(H,36,42)(H,37,46)(H,38,45)/t22-,23-,24-,25-/m0/s1
PubChem CID	44354005
ChEMBL	CHEMBL132776
IUPHAR	N/A
BindingDB	50281550
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
IC50	65.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:3:405	BindingDB,ChEMBL

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