SEQ2FUN

BioLiP

PDB CCD ID: IPH
Number of entries in BioLiP: 80
Chemical formula: C6 H6 O
InChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Oc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)O
Name:PHENOL
ChEMBL: CHEMBL14060
DrugBank: DB03255
ZINC: ZINC000005133329
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).