SEQ2FUN

BioLiP

PDB CCD ID: IOL
Number of entries in BioLiP: 12
Chemical formula: C6 H5 I O
InChI: InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey: VSMDINRNYYEDRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Ic1ccc(O)cc1
CACTVS 3.341Oc1ccc(I)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1O)I
Name:4-IODOPHENOL
ChEMBL: CHEMBL56475
DrugBank: DB03002
ZINC: ZINC000000391103
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).