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BioLiP Library

PDB CCD ID: 9F6
Number of entries in BioLiP: 1
Chemical formula: C14 H11 N O2
InChI: InChI=1S/C14H11NO2/c16-13-6-2-1-5-12(13)14(17)8-7-11-4-3-9-15-10-11/h1-10,16H/b8-7+
InChIKey: CRWNZUBUBIULHB-BQYQJAHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)C=Cc2cccnc2)O
ACDLabs 12.01Oc1ccccc1C(=O)[C@H]=[C@H]c2cnccc2
CACTVS 3.385Oc1ccccc1C(=O)C=Cc2cccnc2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O
CACTVS 3.385Oc1ccccc1C(=O)/C=C/c2cccnc2
Name:(2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one
ChEMBL: CHEMBL3192537
ZINC: ZINC000003898710
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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