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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-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 2028-EP2289883A1 rac-Dithiothreitol 2028-EP2301930A1 Threitol, 1,4-dithio-, L- 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 LS-45823 2028-EP2292593A2 SCHEMBL87345 2028-EP2305640A2 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-EP2281815A1 MCULE-7432075835 2028-EP2298736A1 Threitol, 1,4-dithio- 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 2028-EP2289890A1 rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol 2028-EP2301933A1 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 LS-45824 2028-EP2292615A1 Sputolysin 2028-EP2305648A1 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 2028-EP2281818A1 MolPort-003-665-010 2028-EP2301928A1 Threitol, 1,4-dithio-, DL- 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 L-threo-1,4-Dimercapto-2,3-butanediol 2028-EP2289893A1 SC-15337 2028-EP2305633A1 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 LS-64630 2028-EP2295407A1 STL451520 [ 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

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