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BioLiP Library

PDB CCD ID: BPK
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO
ACDLabs 12.01n1c(c(oc1c2ccccc2)C)COc3cc(ccc3)CO
CACTVS 3.370Cc1oc(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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