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BioLiP

PDB CCD ID: FZ3
Number of entries in BioLiP: 1
Chemical formula: C12 H13 Cl N2
InChI: InChI=1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
InChIKey: CLJJKXWBLJQDDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1CCCn2ccnc2)Cl
CACTVS 3.385Clc1ccc(CCCn2ccnc2)cc1
Name:1-[3-(4-chlorophenyl)propyl]imidazole
ChEMBL: CHEMBL213493
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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