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BioLiP

PDB CCD ID: ZM6
Number of entries in BioLiP: 1
Chemical formula: C16 H19 Cl2 N3 O2
InChI: InChI=1S/C16H19Cl2N3O2/c17-13-4-3-12(9-14(13)18)15(22)20-5-7-21(8-6-20)16(23)19-10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)
InChIKey: DPRJGBYDJHMEPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl)Cl
CACTVS 3.385Clc1ccc(cc1Cl)C(=O)N2CCN(CC2)C(=O)NCC3CC3
ACDLabs 12.01O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Name:N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide
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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