SEQ2FUN

BioLiP

PDB CCD ID: 8TA
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N4
InChI: InChI=1S/C12H10N4/c1-2-6-13-11(5-1)10-9-14-15-12(10)16-7-3-4-8-16/h1-9H,(H,14,15)
InChIKey: XNKBJFZFSNFFOK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[nH]1ncc(c1n2cccc2)c3ccccn3
OpenEye OEToolkits 2.0.6c1ccnc(c1)c2cn[nH]c2n3cccc3
ACDLabs 12.01n1ccccc1c2cnnc2n3cccc3
Name:2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]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).