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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	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	ICI 174,864
Molecular formula	C38H53N5O7
IUPAC name	(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight	691.87
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	2.8
Synonyms	MolPort-023-275-937 (2S,5S,14S)-15-allyl-5-benzyl-14-(4-hydroxybenzyl)-2-isobutyl-8,8,11,11-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12,15-pentaazaoctadec-17-en-1-oic acid Ici 174,865 N,N-Diallyl-tyr-aib-aib-phe-leu-OH AKOS024458657 L-Leucine, N-(N-(N-(N-(N,N-di-2-propenyl-L-tyrosyl)-2-methylalanyl)-2-methylalanyl)-L-phenylalanyl)- ZINC3935022 CHEMBL47545 N,N-Bisallyl-L-Tyr-2-methyl-L-Ala-2-methyl-L-Ala-L-Phe-L-Leu-OH 2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propionylamino}-2-methyl-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid Ici 174865 N-(N-(N-(N-(N,N-di-2-Propenyl-L-tyrosyl)-2-methylalanyl)-2-methylalanyl)-L-phenylalanyl)-L-leucine BDBM50006946 L-Leucine,N,N-di-2-propen-1-yl-L-tyrosyl-2-methylalanyl-L-phenylalanyl- N,N-diallyl-Tyr-Aib-Aib-Phe-Leu ICI-164864 Y-100013 [ Show all ]
Inchi Key	XUWLAGNFLUARAN-CHQNGUEUSA-N
Inchi ID	InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
PubChem CID	44149909
ChEMBL	CHEMBL47545
IUPHAR	N/A
BindingDB	50006946
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 ratio	0.8 -	PMID3041000	ChEMBL
IC50 ratio	1.6 -	PMID3041000	ChEMBL

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