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BioLiP

PDB CCD ID: ELK
Number of entries in BioLiP: 3
Chemical formula: C22 H26 N4 O4
InChI: InChI=1S/C22H26N4O4/c1-14-7-8-15(13-19(14)30-3)23-21(27)25-11-9-16(10-12-25)26-17-5-4-6-18(29-2)20(17)24-22(26)28/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28)
InChIKey: CPZCKKAMAVISMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(OC)cccc34)ccc1C
OpenEye OEToolkits 2.0.6Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC
Name:~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-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)(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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