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BioLiP

PDB CCD ID: 00T
Number of entries in BioLiP: 0
Chemical formula: C8 H11 Cl N2
InChI: InChI=1S/C8H11ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4-5,10-11H2
InChIKey: OPYZUJUKJWFWGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(cc1Cl)CN)CN
ACDLabs 12.01Clc1cc(c(cc1)CN)CN
CACTVS 3.370NCc1ccc(Cl)cc1CN
Name:(4-chlorobenzene-1,2-diyl)dimethanamine
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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