SEQ2FUN

BioLiP

PDB CCD ID: HV7
Number of entries in BioLiP: 0
Chemical formula: C8 H11 N O2
InChI: InChI=1S/C8H11NO2/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4,10H,5,9H2,1H3
InChIKey: ALHCLEQKEZOJIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1cc(OC)ccc1CN
OpenEye OEToolkits 1.5.0COc1ccc(c(c1)O)CN
CACTVS 3.341COc1ccc(CN)c(O)c1
Name:1-METHYLAMINE-2-HYDROXY-4-METHOXY-BENZENE
ZINC: ZINC000008207372
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).