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BioLiP

PDB CCD ID: EV7
Number of entries in BioLiP: 6
Chemical formula: C20 H14 N2 O3
InChI: InChI=1S/C20H14N2O3/c23-20(24)18-10-15(16-11-21-22-12-16)6-8-19(18)25-17-7-5-13-3-1-2-4-14(13)9-17/h1-12H,(H,21,22)(H,23,24)
InChIKey: CKJXZYIEHQOLFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4
ACDLabs 12.01c1cc(cc(C(O)=O)c1Oc2ccc3ccccc3c2)c4cnnc4
CACTVS 3.385OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4
Name:2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid
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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