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	riluzole
Molecular formula	C8H5F3N2OS
IUPAC name	6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
Molecular weight	234.196
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.6
Synonyms	Riluzole HCl Riluzolum [INN-Latin] SC-64630 ST068834 Tox21_501064 7LJ087RS6F MolPort-000-151-262 ACMC-209e89 NCGC00015882-08 BBL013272 NCGC00023141-04 Bio1_000905 Opera_ID_548 BSPBio_000033 Prestwick3_000167 cid_5070 DSSTox_CID_25192 2-Amino-6-(trifluoromethoxy)-benzothiazole FT-0611194 2-Benzothiazolamine, 6-(trifluoromethoxy)- HMS3371A09 6-(trifluoromethoxy)benzothiazole-2-ylamine KS-5231 Riluzole(Rilutek)/ RP28111 SPBio_000599 SW196805-4 VU0239571-11 LP01064 AB0012884 NCGC00015882-03 ALBB-006046 NCGC00015882-11 BDBM30705 NCGC00261749-01 BPBio1_000037 PK-26124, RP-54274, Rilutek, Riluzole CAS-1744-22-5 Rilutek CTK4D4982 DTXSID3045192 2-amino-6-(trifluoromethoxyl)benzothiazole HMS1773G08 4CA-1092 I01-2084 6-trifluoromethoxy-2-amino-benzothiazole Riluzole (JAN/USAN/INN) Riluzole, United States Pharmacopeia (USP) Reference Standard SBI-0051034.P002 SR-01000002997-3 Tox21_110252 ZERO/001785 6-trifluoromethoxybenzo[d]thiazol-2-amine MFCD00210213 AC1L1JJL NCGC00015882-06 AN-6550 NCGC00015882-15 BIDD:GT0055 NSC753433 BRD-K21283037-003-03-9 Prestwick1_000167 Riluzol DB-030335 2-Amino-6-(Trifluoromethoxy) Benzothiazole F3282-0020 2-amino-6-trifluoromethoxy-benzothiazole HMS2233E14 6-(trifluoromethoxy)-2-aminobenzothiazole KB-20157 Riluzole [USAN:INN] RP 54274 SCHEMBL78905 ST24029598 TR-007739 Lopac-R-116 A-5766 NCGC00015882-01 AJ-08278 NCGC00015882-09 BC219019 NCGC00023141-05 Bio1_001394 Pharmakon1600-01505348 C07937 PubChem14501 CJ-00110 DSSTox_GSID_45192 2-Amino-6-(trifluoromethoxy)benzothiazole FTALBRSUTCGOEG-UHFFFAOYSA-N 2-Benzothiazolamine,6-(trifluoromethoxy)- HMS3657E13 6-(trifluoromethoxy)benzo[d]thiazol-2-amine Riluzole, 98% s1614 SPBio_001954 Tiglutik (thickened oral suspension) Z166605314 LS-40688 ABP000632 NCGC00015882-04 Amino-2 trifluoromethoxy-6 benzothiazole NCGC00015882-12 BENZOTHIAZOLE, 2-AMINO-6-TRIFLUOROMETHOXY- NSC-753433 BPBio1_000837 Prestwick-03A08 CCG-39528 Rilutek (TN) D00775 EN300-23782 2-Amino-6-trifluoro- methoxybenzothiazole HMS2089O19 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine J10184 6-Trifluoromethoxy-benzothiazol-2-ylamine Riluzole (Rilutek) Riluzolum SC-18839 ST038494 Tox21_110252_1 ZINC6481 744R225 MLS000069369 AC1Q530H NCGC00015882-07 ANW-22711 NCGC00023141-02 Bio1_000416 NSC759823 BRD-K21283037-003-06-2 Prestwick2_000167 CHEMBL744 Riluzol [INN-Spanish] DB00740 2-amino-6-(trifluoromethoxy)-1,3-benzothiazole FT-0082997 2-amino-6-trifluoromethoxybenzothiazole HMS3263E10 6-(trifluoromethoxy)benzothiazol-2-amine KS-00000W6R Riluzole [USAN:USP:INN:BAN] RP-54274 SMR000058231 STK503686 UNII-7LJ087RS6F Lopac0_001064 A13951 NCGC00015882-02 AKOS000265071 NCGC00015882-10 BCP02142 NCGC00023141-06 Biomol-NT_000245 PK-26124 C8H5F3N2OS R-116 CS-2156 DSSTox_RID_80739 2-amino-6-(trifluoromethoxy)benzo[d]thiazole GTPL2326 HY-B0211 6-trifluoromethoxy-1,3-benzothiazol-2-ylamine Riluzole, solid SBB012436 Spectrum2_000550 Tocris-0768 ZB000641 6-trifluoromethoxybenzothiazole-2-yl-amine MCULE-9362288181 AC-730 NCGC00015882-05 Amino-2 trifluoromethoxy-6 benzothiazole [French] NCGC00015882-13 BF-37 NSC-759823 BRD-K21283037-001-02-5 Prestwick0_000167 CHEBI:8863 Rilutek\|\|\|Rilutor\|\|\|6-(Trifluoromethoxy)-2-benzothiazolamine D0H0KB 1744-22-5 EU-0101064 2-Amino-6-trifluoro-methoxybenzothiazole HMS2094G07 6-(Trifluoromethoxy)-2-amino-benzothiazole J10441 [ Show all ]
Inchi Key	FTALBRSUTCGOEG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
PubChem CID	5070
ChEMBL	CHEMBL744
IUPHAR	N/A
BindingDB	30705
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	92627.0 nM	PubChem BioAssay data set	ChEMBL

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