SEQ2FUN

BioLiP

PDB CCD ID: V92
Number of entries in BioLiP: 1
Chemical formula: C10 H6 N2 O2
InChI: InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
InChIKey: CRRUFISVDCIBAP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC1=C(C#N)C(=O)Nc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=C(C(=O)N2)C#N)O
ACDLabs 12.01OC=1c2ccccc2NC(=O)C=1C#N
Name:4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
ChEMBL: CHEMBL1975609
ZINC: ZINC000005974905
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).