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BioLiP

PDB CCD ID: VXQ
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O
InChI: InChI=1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2
InChIKey: WQXWNTPLZFVZNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCc1ccc2OCCc2c1
OpenEye OEToolkits 1.7.6c1cc2c(cc1CN)CCO2
ACDLabs 12.01O2c1ccc(cc1CC2)CN
Name:1-(2,3-dihydro-1-benzofuran-5-yl)methanamine
ZINC: ZINC000000158517
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).
  • 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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