SEQ2FUN

BioLiP

PDB CCD ID: Y0V
Number of entries in BioLiP: 2
Chemical formula: C11 H7 I2 N O3
InChI: InChI=1S/C11H7I2NO3/c12-7-5-6(11(16)17)10(15)8(13)9(7)14-3-1-2-4-14/h1-5,15H,(H,16,17)
InChIKey: YWYHXCFRZDCHOC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I
CACTVS 3.385OC(=O)c1cc(I)c(n2cccc2)c(I)c1O
Name:2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid
ChEMBL: CHEMBL4165245
ZINC: ZINC000263621315

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).