Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go back to previous page.

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	MLS000401592
Molecular formula	C26H21FN4O5S2
IUPAC name	1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide
Molecular weight	552.595
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	5.1
Synonyms	1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide SMR000243497 1-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-oxidanyl-phenyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide HMS2536N23 AKOS001057922 MLS003910616 1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide CHEMBL1587837 ZINC8686822 MCULE-6454314216 BDBM68066 MolPort-009-607-896 1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide cid_3690550 AC1MVXLJ [ Show all ]
Inchi Key	AIXCLGQVXMIORW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H21FN4O5S2/c1-15-21-14-24(37-26(21)31(29-15)18-7-3-16(27)4-8-18)25(33)28-22-13-20(11-12-23(22)32)38(34,35)30-17-5-9-19(36-2)10-6-17/h3-14,30,32H,1-2H3,(H,28,33)
PubChem CID	3690550
ChEMBL	CHEMBL1587837
IUPHAR	N/A
BindingDB	68066
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<92498.0 nM	PubChem BioAssay data set	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417