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BioLiP

PDB CCD ID: 6SQ
Number of entries in BioLiP: 2
Chemical formula: C20 H20 Cl N O2
InChI: InChI=1S/C20H20ClNO2/c1-14(23)15-5-7-19(8-6-15)22-11-9-16(10-12-22)20(24)17-3-2-4-18(21)13-17/h2-8,13,16H,9-12H2,1H3
InChIKey: LWMBRHVWMVSCBD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl
CACTVS 3.385CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(Cl)c3
Name:1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone
ChEMBL: CHEMBL4073472
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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