SEQ2FUN

BioLiP

PDB CCD ID: 3QV
Number of entries in BioLiP: 5
Chemical formula: C10 H5 N O3
InChI: InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H
InChIKey: IJQYTHQDUDCJEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1O)OC(=O)C(=C2)C#N
ACDLabs 12.01N#CC1=Cc2c(OC1=O)cc(O)cc2
CACTVS 3.370Oc1ccc2C=C(C#N)C(=O)Oc2c1
Name:7-hydroxy-2-oxo-2H-chromene-3-carbonitrile
ChEMBL: CHEMBL150302
ZINC: ZINC000000058014
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).