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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	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	SR-01000835302
Molecular formula	C25H26ClN3O3S
IUPAC name	N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide
Molecular weight	484.011
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	AC1MG67D MLS001060570 SR-01000835302-2 N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methyl-benzenesulfonamide 4-chloranyl-N-methyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide HMS2974C11 SMR000669568 AKOS000377396 MLS003907550 STL072077 CHEMBL1302429 N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide 4-chloro-N-methyl-N-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide MCULE-1336827598 BDBM114604 MolPort-002-297-717 ZINC13896674 cid_2981176 N-{4-[(4-benzylpiperazin-1-yl)carbonyl]phenyl}-4-chloro-N-methylbenzenesulfonamide [ Show all ]
Inchi Key	AMCHGSHJMDQEAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26ClN3O3S/c1-27(33(31,32)24-13-9-22(26)10-14-24)23-11-7-21(8-12-23)25(30)29-17-15-28(16-18-29)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3
PubChem CID	2981176
ChEMBL	CHEMBL1302429
IUPHAR	N/A
BindingDB	114604
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	92432.0 nM	PubChem BioAssay data set	ChEMBL
EC50	92470.0 nM	N/A	BindingDB

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