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BioLiP Library

PDB CCD ID: BPW
Number of entries in BioLiP: 2
Chemical formula: C9 H12 Cl N
InChI: InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
InChIKey: RVLNDSYSQLMPRC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1CCCN)Cl
CACTVS 3.385NCCCc1ccc(Cl)cc1
Name:3-(4-chlorophenyl)propan-1-amine
ZINC: ZINC000006658015
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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