SEQ2FUN

BioLiP

PDB CCD ID: LIG
Number of entries in BioLiP: 0
Chemical formula: C15 H11 N3
InChI: InChI=1S/C15H11N3/c1-2-4-12-11(3-1)9-13-14(17-18-15(12)13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18)
InChIKey: NHOACLCXCKJMAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C1c2ccccc2c3n[nH]c(c13)c4ccncc4
OpenEye OEToolkits 1.5.0c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4
ACDLabs 10.04n4ccc(c1c3c(nn1)c2ccccc2C3)cc4
Name:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
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).