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BioLiP

PDB CCD ID: 24D
Number of entries in BioLiP: 1
Chemical formula: C17 H18 Cl2 N4 O2
InChI: InChI=1S/C17H18Cl2N4O2/c18-13-3-2-12(15(19)10-13)11-22-17(24)23-8-4-14(5-9-23)25-16-20-6-1-7-21-16/h1-3,6-7,10,14H,4-5,8-9,11H2,(H,22,24)
InChIKey: UZEPPAOAIDTLTK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Clc1ccc(CNC(=O)N2CCC(CC2)Oc3ncccn3)c(Cl)c1
OpenEye OEToolkits 1.7.0c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl
Name:N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide;
4-(Pyrimidin-2-yloxy)-piperidine-1-carboxylic acid 2,4-dichloro-benzylamide
ChEMBL: CHEMBL589136
ZINC: ZINC000044460348
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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