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BioLiP

PDB CCD ID: CZM
Number of entries in BioLiP: 3
Chemical formula: C22 H20 N2 O2
InChI: InChI=1S/C22H20N2O2/c1-15-7-5-9-17(21(15)25)13-23-19-11-3-4-12-20(19)24-14-18-10-6-8-16(2)22(18)26/h3-14,25-26H,1-2H3/b23-13+,24-14+
InChIKey: DNVUYVBRNCWGAK-RNIAWFEPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)C=Nc2ccccc2N=Cc3cccc(c3O)C
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C
CACTVS 3.341Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O
ACDLabs 10.04Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C
Name:'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE';
3,3'-ME2-SALOPHEN
ZINC: ZINC000018252351
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).
  • 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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