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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL1076738
Molecular formula	C52H60N10O8
IUPAC name	(2S)-2-amino-N-[(4R)-2-[2-[2-[[2-[(4R)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]acetyl]amino]ethylamino]-2-oxoethyl]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Molecular weight	953.114
Hydrogen bond acceptor	10
Hydrogen bond donor	10
XlogP	3.0
Synonyms	BDBM50312856 (2S,2''S)-N,N''-((4R,4''R)-2,2''-(2,2''-(ethane-1,2-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(3-oxo-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole-4,2-diyl))bis(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide)
Inchi Key	AKDUVEMSLCHVHO-XCIZVNRNSA-N
Inchi ID	InChI=1S/C52H60N10O8/c1-27-15-31(63)16-28(2)35(27)19-39(53)49(67)59-43-21-37-33-9-5-7-11-41(33)57-45(37)23-61(51(43)69)25-47(65)55-13-14-56-48(66)26-62-24-46-38(34-10-6-8-12-42(34)58-46)22-44(52(62)70)60-50(68)40(54)20-36-29(3)17-32(64)18-30(36)4/h5-12,15-18,39-40,43-44,57-58,63-64H,13-14,19-26,53-54H2,1-4H3,(H,55,65)(H,56,66)(H,59,67)(H,60,68)/t39-,40-,43+,44+/m0/s1
PubChem CID	46880890
ChEMBL	CHEMBL1076738
IUPHAR	N/A
BindingDB	50312856
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	138.7 nM	PMID20137938	ChEMBL
Ki	139.0 nM	PMID20137938	BindingDB

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