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BioLiP

PDB CCD ID: NZN
Number of entries in BioLiP: 1
Chemical formula: C16 H26 N4 O3
InChI: InChI=1S/C16H26N4O3/c1-2-17-14(21)9-10-15(22)18-13-11-16(23)19-20(13)12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H,17,21)(H,18,22)(H,19,23)
InChIKey: LPNCMHPJRSJOIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2
ACDLabs 12.01O=C(NCC)CCC(NC=1N(NC(C=1)=O)C2CCCCCC2)=O
Name:N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide
ZINC: ZINC000584905639
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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