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BioLiP

PDB CCD ID: R3P
Number of entries in BioLiP: 6
Chemical formula: C15 H20 Cl2 N2 O
InChI: InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
InChIKey: OUZZSIOQTSNTTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1c(c(ccc1)Cl)C(NC2CCN(CC2)C(C)C)=O
OpenEye OEToolkits 2.0.7CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl
CACTVS 3.385CC(C)N1CCC(CC1)NC(=O)c2c(Cl)cccc2Cl
Name:2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide
ChEMBL: CHEMBL4438419
ZINC: ZINC000012382527
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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