SEQ2FUN

BioLiP

PDB CCD ID: VWH
Number of entries in BioLiP: 1
Chemical formula: C13 H19 N O2
InChI: InChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3
InChIKey: UXZVPHLFAODMJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1O)CNC2CCCC2
ACDLabs 12.01
CACTVS 3.385		COc1cccc(CNC2CCCC2)c1O
Name:2-[(cyclopentylamino)methyl]-6-methoxyphenol
ZINC: ZINC000019883457
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).