SEQ2FUN

BioLiP

PDB CCD ID: MBD
Number of entries in BioLiP: 4
Chemical formula: C7 H8 O2
InChI: InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
InChIKey: PGSWEKYNAOWQDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)O
CACTVS 3.341Cc1cccc(O)c1O
ACDLabs 10.04Oc1c(cccc1O)C
Name:3-METHYLCATECHOL;
3-METHYL-BENZENE-1,2-DIOL
ChEMBL: CHEMBL1173328
DrugBank: DB03454
ZINC: ZINC000013512198
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).