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BioLiP Library

PDB CCD ID: A1AM0
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O3
InChI: InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m1/s1
InChIKey: VMYFKAZPRAZUQC-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NCC1CCOC1)c1cc(C)no1
OpenEye OEToolkits 2.0.7Cc1cc(on1)C(=O)NCC2CCOC2
CACTVS 3.385Cc1cc(on1)C(=O)NC[CH]2CCOC2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1cc(on1)C(=O)NC[C@H]2CCOC2
Name:3-methyl-N-{[(3R)-oxolan-3-yl]methyl}-1,2-oxazole-5-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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