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	Bos taurus (Bovine)
Gene	OPRM1
Synonym	M-OR-1 MOR-1
Disease	N/A for non-human GPCRs
Length	401
Amino acid sequence	MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP
UniProt	P79350
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	CHEMBL3041
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Cleland's reagent
Molecular formula	C4H10O2S2
IUPAC name	1,4-bis(sulfanyl)butane-2,3-diol
Molecular weight	154.242
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-0.4
Synonyms	2028-EP2281818A1 MolPort-003-665-010 2028-EP2301928A1 Threitol, 1,4-dithio-, DL- 2028-EP2308880A1 27565-41-9 AN-20224 (+/-)-threo-1,4-Dimercapto-2,3-butanediol CCRIS 3617 (R-(R,R))-1,4-Dimercaptobutane-2,3-diol Clelands reagent 1,4-Dithiothreitol Dithiothreitol 2,3-Butanediol, 1,4-dimercapto-, (R-(R,R))- DTT 2,3-Dihydroxybutane-1,4-dithiol KS-00000YG3 L-threo-1,4-Dimercapto-2,3-butanediol 2028-EP2289893A1 SC-15337 2028-EP2305633A1 trans-1,4-Dimercaptobutane-2,3-diol 2028-EP2311825A1 AC1L2D93 BRD-A30142024-001-01-1 (R,R)-(1)-1,4-Dimercaptobutane-2,3-diol CHEBI:25189 1,4-Bissulfanylbutane-2,3-diol D-8100 2,3-Butanediol, 1,4-dimercapto-, (2R,3R)-rel- dl-Dithiothreitol 2,3-BUTANEDIOL, 1,4-DIMERCAPTO-, D-threo- EINECS 231-563-2 2028-EP2270004A1 LS-64630 2028-EP2295407A1 STL451520 2028-EP2305825A1 2028-EP2314575A1 AKOS004910031 BRN 2036371 (R,S)-1,4-Dimercapto-2,3-butanediol Cleland reagent 1,4-Disulfanyl-2,3-butanediol, dl, threo- D01GMJ 2,3-Butanediol, 1,4-dimercapto-, (R,R)-(.+/-.)- DL-threo-1,4-Dimercapto-2,3-butanediol 2,3-BUTANEDIOL, 1,4-DIMERCAPTO-, L-threo- ERYTHRITOL, 1,4-DITHIO- 2028-EP2275414A1 2028-EP2289883A1 rac-Dithiothreitol 2028-EP2301930A1 Threitol, 1,4-dithio-, L- 2028-EP2311808A1 3483-12-3 ANW-43982 (.+/-.)-Dithiothreitol CD-473 1,4-bis(sulfanyl)butane-2,3-diol CTK5E2800 16096-97-2 Dithiotreitol 2,3-Butanediol, 1,4-dimercapto-, (theta,S)- EINECS 222-468-7 2028-EP2269988A2 L-1,4-Dithiothreitol LS-45823 2028-EP2292593A2 SCHEMBL87345 2028-EP2305640A2 VHJLVAABSRFDPM-UHFFFAOYSA-N 2028-EP2311827A1 AC1Q77NV BRN 1719756 (R,R)-1,4-Dimercapto-2,3-butanediol 1,4-dimercapto-2,3-butanediol D-8200 2,3-Butanediol, 1,4-dimercapto-, (R,R)- DL-DTT 2,3-Butanediol, 1,4-dimercapto-, dl, threo- EINECS 240-263-0 2028-EP2270505A1 2028-EP2281815A1 MCULE-7432075835 2028-EP2298736A1 Threitol, 1,4-dithio- 2028-EP2308833A2 2028-EP2316937A1 AN-18114 CCG-208027 (R,S)-1,4-Dimercaptobutane-2,3-diol 1,4-disulfanylbutane-2,3-diol D3647 2,3-Butanediol, 1,4-dimercapto-, (R,S)- DTE 2,3-Butanediol,1,4-dimercapto- InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H 2028-EP2289890A1 rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol 2028-EP2301933A1 TR-006842 2028-EP2311814A1 7634-42-6 BCP24764 (R,R)-(+-)-1,4-Dimercapto-2,3-butanediol CHEBI:18320 1,4-bis-sulfanylbutane-2,3-diol d,l-dithiothreitol 2,3-Butanediol, 1,4-dimercapto- DL-1,4-Dimercapto-2,3-butanediol 2,3-Butanediol, 1,4-dimercapto-, (theta,theta)-(+/-)- EINECS 229-998-8 2028-EP2269993A1 L-Dithiothreitol LS-45824 2028-EP2292615A1 Sputolysin 2028-EP2305648A1 WR 34678 2028-EP2311829A1 AI3-62064 BRN 1719757 (R,R)-1,4-Dimercaptobutane-2,3-diol CHEMBL47903 1,4-Dimercaptobutane-2,3-diol D-8220 2,3-Butanediol, 1,4-dimercapto-, (R,R)- (+-)- DL-Theo-1,4-dimercapto-2,3-butanediol 2,3-Butanediol, 1,4-dimercapto-, DL-threo- EINECS 248-531-9 2028-EP2275412A1 [ Show all ]
Inchi Key	VHJLVAABSRFDPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
PubChem CID	19001
ChEMBL	CHEMBL47903
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Control	107.0 %	Bioorg. Med. Chem. Lett., (1995) 5:15:1695	ChEMBL

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