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BioLiP

PDB CCD ID: WEN
Number of entries in BioLiP: 1
Chemical formula: C13 H19 N O3
InChI: InChI=1S/C13H19NO3/c1-9-10(8-11(15)16)14-12(17-9)13(2)6-4-3-5-7-13/h3-8H2,1-2H3,(H,15,16)
InChIKey: UZKFWBFLCWZXBJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)Cc1nc(oc1C)C1(C)CCCCC1
OpenEye OEToolkits 2.0.7Cc1c(nc(o1)C2(CCCCC2)C)CC(=O)O
CACTVS 3.385Cc1oc(nc1CC(O)=O)C2(C)CCCCC2
Name:[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid
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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