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BioLiP Library

PDB CCD ID: 3DV
Number of entries in BioLiP: 1
Chemical formula: C17 H13 N3 O3
InChI: InChI=1S/C17H13N3O3/c18-16-15(10-4-6-11(7-5-10)17(22)23)20-14(9-19-16)12-2-1-3-13(21)8-12/h1-9,21H,(H2,18,19)(H,22,23)
InChIKey: SMCZWNHNLRIBBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N
CACTVS 3.385Nc1ncc(nc1c2ccc(cc2)C(O)=O)c3cccc(O)c3
ACDLabs 12.01O=C(O)c1ccc(cc1)c2nc(cnc2N)c3cccc(O)c3
Name:4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
ZINC: ZINC000219974791
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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