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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	2-t-Butylcyclohexyloxy-2-butanol
Molecular formula	C14H28O2
IUPAC name	1-(2-tert-butylcyclohexyl)oxybutan-2-ol
Molecular weight	228.376
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.8
Synonyms	1-(2-tert-butylcyclohexyl)oxy-2-butanol AC1Q58H8 2-Butanol, 1-((2-(1,1-dimethylethyl)cyclohexyl)oxy)- CHEMBL3733013 1-((2-tert-Butylcyclohexyl)oxy)butan-2-ol A810537 SCHEMBL118256 1-(2-tert-butylcyclohexyl)oxybutan-2-ol AKOS028114617 2-Butanol, 1-[[2-(1,1-dimethylethyl)cyclohexyl]oxy]- EC 412-300-2 1-(2-t-butylcyclohexyloxy)-2-butanol AC1L4URD 1-(2-tert-butylcyclohexyloxy)-2-butanol GQBVHGLNSHPKPG-UHFFFAOYSA-N [ Show all ]
Inchi Key	GQBVHGLNSHPKPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3
PubChem CID	164422
ChEMBL	CHEMBL3733013
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
524518	Olfactory receptor 5K1	Q8NHB7	OR5K1	Homo sapiens (Human)	308

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