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	Mus musculus (Mouse)
Gene	Oprm1
Synonym	opioid receptor, mu 1 opioid receptor OP3 Mu receptor MOR-1 MOPr MOP M-OR-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P42866
Protein Data Bank	4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4dkl.
BioLiP	BL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2858
IUPHAR	319
DrugBank	N/A

Ligand

Name	UNII-5F4WO3BVS9
Molecular formula	C16H29NO
IUPAC name	(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
Molecular weight	251.414
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	5.5
Synonyms	(2E,4E)-N-Isobutyl-2,4-dodecadienamide D0EC6B N-isobutyl-(2E,4E)-dodecadienamide 2,4-(E,E)-Dodecadienoylisobutylamide BBRMJCAPNGJKEM-AQASXUMVSA-N Kalecide NCGC00384562-01!(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide (2E,4E)-N-(2-Methylpropyl)-2,4-dodecadienamide 2,4-Dodecadienamide, N-isobutyl-, (E,E)- N-(2-Methylpropyl)-2,4-dodecadienamide ZINC36294914 (2e,4e)-n-isobutyldodeca-2,4-dienamide 5F4WO3BVS9 dodeca-2E,4E-dienoic acid isobutylamide N-Isobutyl-(2E,4E-dodeca-2,4-dienamide 2,4-Dodecadienamide, N-(2-methylpropyl)-, (2E,4E)- BDBM50212599 MCULE-7934862818 SCHEMBL2262688 (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide 24738-51-0 CHEMBL426912 N-Isobutyl-(2E,4E)-dodeca-2,4-dienamide (E,E)-N-Isobutyl-2,4-dodecadienamide AC1O5Y9Z Dodecatetraenoic acid isobutylamide, (2E,4E)- N-Isobutyldodeca-trans-2,4-dienamide 2,4-Dodecadienamide, N-(2-methylpropyl)-, (E,E)- CHEBI:70101 MolPort-005-944-951 [ Show all ]
Inchi Key	BBRMJCAPNGJKEM-AQASXUMVSA-N
Inchi ID	InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
PubChem CID	6443006
ChEMBL	CHEMBL426912
IUPHAR	N/A
BindingDB	50212599
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	8200.0 nM	PMID24095014	ChEMBL

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