SEQ2FUN

BioLiP

PDB CCD ID: U74
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N3 O
InChI: InChI=1S/C16H15N3O/c1-20-12-6-4-10(5-7-12)15-14-13(8-9-17-15)18-19-16(14)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,18,19)
InChIKey: MDGTTXDVZGRPBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)c2c3c(ccn2)[nH]nc3C4CC4
CACTVS 3.385COc1ccc(cc1)c2nccc3[nH]nc(C4CC4)c23
Name:3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine
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).