SEQ2FUN

BioLiP

PDB CCD ID: MPK
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O2
InChI: InChI=1S/C11H11NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKey: GHGWDZCXZRWQBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1oc(c(c1c2ccccc2)CO)C
CACTVS 3.370Cc1onc(c1CO)c2ccccc2
OpenEye OEToolkits 1.7.6Cc1c(c(no1)c2ccccc2)CO
Name:(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol
ZINC: ZINC000000158498
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).