SEQ2FUN

BioLiP

PDB CCD ID: ZZT
Number of entries in BioLiP: 4
Chemical formula: C8 H11 N O
InChI: InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
InChIKey: WXWCDTXEKCVRRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352COc1ccc(C)cc1N
ACDLabs 10.04O(c1ccc(cc1N)C)C
OpenEye OEToolkits 1.6.1Cc1ccc(c(c1)N)OC
Name:2-METHOXY-5-METHYLANILINE
ChEMBL: CHEMBL398755
ZINC: ZINC000000157578
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).