Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	Olfactory receptor 5K1
Species	Homo sapiens (Human)
Gene	OR5K1
Synonym	HTPCRX10 Olfactory receptor OR3-8
Disease	N/A
Length	308
Amino acid sequence	MAEENHTMKNEFILTGFTDHPELKTLLFVVFFAIYLITVVGNISLVALIFTHRRLHTPMYIFLGNLALVDSCCACAITPKMLENFFSENKRISLYECAVQFYFLCTVETADCFLLAAMAYDRYVAICNPLQYHIMMSKKLCIQMTTGAFIAGNLHSMIHVGLVFRLVFCGSNHINHFYCDILPLYRLSCVDPYINELVLFIFSGSVQVFTIGSVLISYLYILLTIFKMKSKEGRAKAFSTCASHFLSVSLFYGSLFFMYVRPNLLEEGDKDIPAAILFTIVVPLLNPFIYSLRNREVISVLRKILMKK
UniProt	Q8NHB7
Protein Data Bank	N/A
GPCR-HGmod model	Q8NHB7
3D structure model	This predicted structure model is from GPCR-EXP Q8NHB7.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3721312
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	1-(benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
Molecular formula	C17H18O2
IUPAC name	2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
Molecular weight	254.329
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.1
Synonyms	KB-218176 TR-003342 1-alpha-Phenyl-4-propenylveratrole 4-Propenyl-1-benzyloxy-2-methoxybenzene Benzene, 1-(benzyloxy)-2-methoxy-4-propenyl- Benzyl alcohol, ether with isoeugenol FEMA No. 3698 Isoeugenol, benzyl ether NSC 46157 YKSSSKBJDZDZTD-XVNBXDOJSA-N 1-(Benzyloxy)-2-methoxy-4-(1-propenyl)benzene 1-Benzyloxy-2-methoxy-4-[(E)-1-propenyl]benzene AC1Q488Z Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-, (E)- Benzylisoeugenol J-004259 ST24037546 1-(benzyloxy)-2-methoxy-4-[(1E)-prop-1-en-1-yl]benzene 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene AK135529 Benzyl 2-methoxy-4-prop-1-enylphenyl ether EAQ1VI50KH LS-2860 trans-Isoeugenyl benzyl ether 1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene 92666-21-2 Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)- Benzyl isoeugenol FEMA no. 3698, E- Isoeugenyl benzyl ether SR-01000417307 ZINC238671 120-11-6 AC1Q574E Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1E)-1-propen-1-yl- KB-152270 STK825216 1-(benzyloxy)-2-methoxy-4-[(E)-1-propenyl]benzene 2-Methoxy-4-propenylphenyl benzyl ether AKOS001612090 Benzyl 2-methoxy-4-propenylphenyl ether EINECS 204-370-6 MolPort-002-539-054 UNII-EAQ1VI50KH 1-Benzyloxy-2-methoxy-4-propenylbenzene AC1LG2LR BENZENE, 2-METHOXY-1-(PHENYLMETHOXY)-4-(1-PROPENYL)- Benzyl isoeugenol ether Isoeugenol benzyl ether Isoeugenyl benzyl ether, (E)- SR-01000417307-1 1-(Benzyloxy)-2-methoxy-4-[(1E)-1-propenyl]benzene 2-Methoxy-1-(phenylmethoxy)-4-(1-propenyl)benzene AJ-18233 BENZENE,2-METHOXY-1-(PHENYLMETHOXY)-4-(1E)-1-PROPEN-1-YL- CHEMBL3727581 [ Show all ]
Inchi Key	YKSSSKBJDZDZTD-XVNBXDOJSA-N
Inchi ID	InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
PubChem CID	764139
ChEMBL	CHEMBL3727581
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
Inhibition	50.0 %	None	ChEMBL

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