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BioLiP Library

PDB CCD ID: 8AK
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 O2
InChI: InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3
InChIKey: KOQGLXMVOJEOLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1cc(no1)C(=O)N(C1CC1)C(C)C
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)N(C2CC2)C(C)C
CACTVS 3.385CC(C)N(C1CC1)C(=O)c2cc(C)on2
Name:N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide
ZINC: ZINC000071186148
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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