SEQ2FUN

BioLiP

PDB CCD ID: Y6S
Number of entries in BioLiP: 8
Chemical formula: C9 H6 I N O2
InChI: InChI=1S/C9H6INO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
InChIKey: LLSYKFHQMUBJCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1[nH]c2cc(I)ccc2c1
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc([nH]2)C(=O)O)I
Name:6-iodanyl-1~{H}-indole-2-carboxylic acid
ZINC: ZINC000002443762
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).