BioLiP

PDB

BioLiP

PDB CCD ID:

BPK

Number of entries in BioLiP:

Chemical formula:

C18 H17 N O3

InChI:

InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3

InChIKey:

UPVJJOGZAKVERR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO
ACDLabs 12.01	n1c(c(oc1c2ccccc2)C)COc3cc(ccc3)CO
CACTVS 3.370	Cc1oc(nc1COc2cccc(CO)c2)c3ccccc3

Name:

{3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol

ChEMBL:

CHEMBL2069625

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).