SEQ2FUN

BioLiP

PDB CCD ID: 32Y
Number of entries in BioLiP: 3
Chemical formula: C9 H6 I N O2
InChI: InChI=1S/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2
InChIKey: WWRAFPGUBABZSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc2OC(=O)C=Cc2c1I
OpenEye OEToolkits 1.9.2c1cc2c(c(c1N)I)C=CC(=O)O2
ACDLabs 12.01Ic2c(ccc1OC(=O)C=Cc12)N
Name:6-amino-5-iodo-2H-chromen-2-one
ChEMBL: CHEMBL4570898
ZINC: ZINC000000016193
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).