SEQ2FUN

BioLiP

PDB CCD ID: JIK
Number of entries in BioLiP: 4
Chemical formula: C12 H13 N3 O2
InChI: InChI=1S/C12H13N3O2/c16-12(17)9-5-8-7-14-15(11(8)13-6-9)10-3-1-2-4-10/h5-7,10H,1-4H2,(H,16,17)
InChIKey: OJOATUNPRXJFJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2cnn(c2ncc1C(=O)O)C3CCCC3
CACTVS 3.385OC(=O)c1cnc2n(ncc2c1)C3CCCC3
Name:1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid
ChEMBL: CHEMBL3457881
ZINC: ZINC000021966574

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).