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BioLiP

PDB CCD ID: UXA
Number of entries in BioLiP: 5
Chemical formula: C11 H11 N O3
InChI: InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)
InChIKey: OUGQMSXIPFSZBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)NC3CC3)OCO2
ACDLabs 12.01c1(cc2c(cc1)OCO2)C(NC3CC3)=O
CACTVS 3.385O=C(NC1CC1)c2ccc3OCOc3c2
Name:~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
ZINC: ZINC000002737565
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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