SEQ2FUN

BioLiP

PDB CCD ID: KZ6
Number of entries in BioLiP: 1
Chemical formula: C7 H5 I O2
InChI: InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey: GHICCUXQJBDNRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)O)I
ACDLabs 12.01
CACTVS 3.385		OC(=O)c1ccc(I)cc1
Name:4-iodobenzoic acid
ChEMBL: CHEMBL101265
ZINC: ZINC000000167246
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).