SEQ2FUN

BioLiP

PDB CCD ID: UJF
Number of entries in BioLiP: 2
Chemical formula: C14 H14 I N O2
InChI: InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
InChIKey: XIINYOJWNGOUPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1O)Oc2ccc(cc2I)CCN
CACTVS 3.385NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Name:4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol
ChEMBL: CHEMBL1182312
ZINC: ZINC000013681007
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).