BioLiP

PDB

BioLiP

PDB CCD ID:

ODR

Number of entries in BioLiP:

Chemical formula:

C15 H19 N O3

InChI:

InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3/t10-/m1/s1

InChIKey:

AONNGYBECNOVTK-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCOc1cc(cc(c1)C(C)O)c2c(noc2C)C
CACTVS 3.370	CCOc1cc(cc(c1)c2c(C)onc2C)[CH](C)O
OpenEye OEToolkits 1.7.2	CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C
CACTVS 3.370	CCOc1cc(cc(c1)c2c(C)onc2C)[C@@H](C)O
ACDLabs 12.01	n2oc(c(c1cc(OCC)cc(c1)C(O)C)c2C)C

Name:

(1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol

ZINC:

ZINC000072114946

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).