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	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	ALPHA-IONONE
Molecular formula	C13H20O
IUPAC name	(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular weight	192.302
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.0
Synonyms	NCGC00255071-01 127-41-3 trans-alpha-Ionone 4,7-Megastigmadien-9-one AK106187 alpha-Ionone, >=90% beta-lonone (natural) DS-3418 EINECS 238-362-9 I14-11279 LS-2372 (?)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one NSC34560 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one alpha-Cyclocitrylideneacetone alpha-Ionone, technical grade, 90% CHEBI:32319 DSSTox_RID_79242 FCH2251695 Ionone, alpha- (+-)-trans-alpha-Ionone MolPort-000-719-686 NCGC00164008-01 (S-(E))-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one ST51038598 31798-11-5 AC1Q1J9N alpha-Ionone (natural) BBV-76025255 Copaiba extract (resinoid) (South American spp. of Copaifera L.) EINECS 230-010-2 HSDB 8268 KB-47288 (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one (E)-(1)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one NSC 34560 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- UZFLPKAIBPNNCA-BQYQJAHWSA-N 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one AKOS000120391 alpha-Ionone, analytical standard C12286 DSSTox_CID_15160 EINECS 250-293-6 I14-18012 LS-84164 (e)-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one RTR-003944 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-(.+/-.)- 6901-97-9 alpha-Ionon alpha-Ionone, technical, >=90% (GC) DTXSID0035160 FCH4510504 Iraldeine (-)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one MolPort-004-288-323 NCGC00164008-02 .alpha.-Cyclocitrylideneacetone Tox21_301173 31798-12-6 AI3-16056 alpha-Ionone Bri FCC beta-lonone Cyclocitrylideneacetone, alpha- EINECS 232-396-8 I0076 Lonone (mixed isomers) (3E)-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one (E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE NSC-34560 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)- W-108383 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one alpha-(E)-ionone alpha-Ionone, natural, >=86% CAS-127-41-3 DSSTox_GSID_35160 EINECS 250-812-6 IONONE, ALPHA MFCD00001565 Nat. Alpha Ionone (E)-alpha-Ionone SCHEMBL112670 30685-95-1 AC1NQZHN alpha-Jonone CHEMBL472877 EINECS 204-841-6 FEMA No. 2594 Irisone (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on [ Show all ]
Inchi Key	UZFLPKAIBPNNCA-BQYQJAHWSA-N
Inchi ID	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
PubChem CID	5282108
ChEMBL	CHEMBL472877
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	75.0 %	None	ChEMBL

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