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GLASS

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GPCR

Name	Mu-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRM1
Synonym	hMOP M-OR-1 MOP opioid receptor, mu 1 opioid receptor MOPr MOR-1 Mu opiate receptor Mu opioid receptor mu receptor OP3 [ Show all ]
Disease	Diarrhea Inflammatory disease Pain Major depressive disorder Migraine Mild pain Moderate-to-severe acute pain Opioid-induced constipation Opiate dependence Urinary incontinence Movement disorder Obesity Non-small cell lung cancer Systemic pain Headache Analgesia Anesthesia Asthma Cancer pain Chronic pain Constipation Diabetic neuropathy Unspecified Gastrointestinal disease Gastrointestinal disease; Pain General anesthesia Narcotic depression [ Show all ]
Length	400
Amino acid sequence	MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P35372
Protein Data Bank	N/A
GPCR-HGmod model	P35372
3D structure model	This predicted structure model is from GPCR-EXP P35372.
BioLiP	N/A
Therapeutic Target Database	T47768
ChEMBL	CHEMBL233
IUPHAR	319
DrugBank	BE0000770

Ligand

Name	106674-03-7
Molecular formula	C27H20N2O8S
IUPAC name	8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
Molecular weight	532.523
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.9
Synonyms	Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-6-((4-methylphenyl)sulfonyl)benzo(1,2-b:4,3-b')dipyrrole-1-carboxylate NCI60_028455 AC1Q6U2R CHEMBL1700880 NSC679525 Benzo[1,2-b:4,3-b']dipyrrole-1,7-dicarboxylicacid, 3,4,5,6-tetrahydro-6-[(4-methylphenyl)sulfonyl]-4,5-dioxo-, 7-methyl1-(phenylmethyl) ester DTXSID60147723 SMR001565879 4,5-diketo-3-tosyl-6H-pyrrol[3,2-e]indole-2,8-dicarboxylic acid O8-benzyl ester O2-methyl ester Benzyl 7-(Methoxycarbonyl)-3,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate NSC 679525 A801509 ACMC-20byhi cid_386817 O2-methyl O8-(phenylmethyl) 3-(4-methylphenyl)sulfonyl-4,5-bis(oxidanylidene)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate MLS002702317 ZINC1647564 8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate NSC-679525 AC1L8SHN BDBM81250 CTK4A4704 O8-benzyl O2-methyl 4,5-dioxo-3-(p-tolylsulfonyl)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylic acid O2-methyl ester O8-(phenylmethyl) ester [ Show all ]
Inchi Key	AVADCSIAVBNFKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3
PubChem CID	386817
ChEMBL	CHEMBL1700880
IUPHAR	N/A
BindingDB	81250
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92365.0 nM	PubChem BioAssay data set	ChEMBL

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