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BioLiP

PDB CCD ID: V4L
Number of entries in BioLiP: 1
Chemical formula: C14 H22 N2 O
InChI: InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17)
InChIKey: JDMIDNSLBBTABU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)C(C)(C)CN(C)CC(=O)N
ACDLabs 12.01NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1
CACTVS 3.385CN(CC(N)=O)CC(C)(C)c1ccc(C)cc1
Name:N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide
ZINC: ZINC000075861725
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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