SEQ2FUN

BioLiP

PDB CCD ID: 89Q
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O2
InChI: InChI=1S/C11H13NO2/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,12,13)
InChIKey: SEHBIQLFBDRLMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N)OCC2CC2
CACTVS 3.385NC(=O)c1ccc(OCC2CC2)cc1
Name:4-(cyclopropylmethoxy)benzamide
ChEMBL: CHEMBL5198692
ZINC: ZINC000205325397
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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).