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BioLiP

PDB CCD ID: AU8
Number of entries in BioLiP: 2
Chemical formula: C13 H12 Cl2 N
InChI: InChI=1S/C13H11Cl2N/c14-11-6-9(8-16)7-12(15)13(11)10-4-2-1-3-5-10/h1-7H,8,16H2/p+1
InChIKey: CVRVMSHFNIYTSS-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl
CACTVS 3.385[NH3+]Cc1cc(Cl)c(c(Cl)c1)c2ccccc2
Name:[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium
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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