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BioLiP

PDB CCD ID: SVG
Number of entries in BioLiP: 1
Chemical formula: C14 H13 Cl N2
InChI: InChI=1S/C14H13ClN2/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3/b17-11+
InChIKey: ZIGCQVKVNGOYBI-GZTJUZNOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=NCc1cccnc1)c2ccc(cc2)Cl
CACTVS 3.385CC(=NCc1cccnc1)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.6C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl
Name:(~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine
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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