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BioLiP Library

PDB CCD ID: DIU
Number of entries in BioLiP: 23
Chemical formula: C7 H4 I2 O3
InChI: InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey: DHZVWQPHNWDCFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1C(=O)O)O)I)I
ACDLabs 10.04Ic1cc(C(=O)O)c(O)c(I)c1
CACTVS 3.341OC(=O)c1cc(I)cc(I)c1O
Name:2-HYDROXY-3,5-DIIODO-BENZOIC ACID;
2-HYDROXY-3,5-DIIODOBENZOIC ACID
ChEMBL: CHEMBL1232243
DrugBank: DB04674
ZINC: ZINC000003860382
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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