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BioLiP

PDB CCD ID: IHB
Number of entries in BioLiP: 12
Chemical formula: C7 H5 I O3
InChI: InChI=1S/C7H5IO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKey: BJZXBZGGLXHODK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1ccc(O)c(I)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C(=O)O)I)O
ACDLabs 10.04Ic1cc(C(=O)O)ccc1O
Name:3-IODO-4-HYDROXYBENZOIC ACID
ZINC: ZINC000000330968
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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