SEQ2FUN

BioLiP

PDB CCD ID: OTO
Number of entries in BioLiP: 0
Chemical formula: C11 H8 N4 O
InChI: InChI=1S/C11H8N4O/c12-5-9-8-6-13-4-3-10(8)15(14-9)11(16)7-1-2-7/h3-4,6-7H,1-2H2
InChIKey: DHYXAKZNFKQCOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cncc2c1n(nc2C#N)C(=O)C3CC3
CACTVS 3.385O=C(C1CC1)n2nc(C#N)c3cnccc23
Name:1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile
ChEMBL: CHEMBL4753315
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).