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BioLiP Library

PDB CCD ID: 7EL
Number of entries in BioLiP: 2
Chemical formula: C13 H10 Cl N O3
InChI: InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-7,16-18H/b15-7+
InChIKey: UPNYTTDLLBLJGJ-VIZOYTHASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O
CACTVS 3.385O\N=C\c1ccc(c2ccc(O)cc2)c(Cl)c1O
ACDLabs 12.01Oc2ccc(c1c(c(O)c([C@H]=NO)cc1)Cl)cc2
CACTVS 3.385ON=Cc1ccc(c2ccc(O)cc2)c(Cl)c1O
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc(c(c2Cl)O)C=NO)O
Name:2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol
ChEMBL: CHEMBL405154
ZINC: ZINC000029136161
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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