SEQ2FUN

BioLiP

PDB CCD ID: WEG
Number of entries in BioLiP: 2
Chemical formula: C16 H12 N4
InChI: InChI=1S/C16H12N4/c1-2-4-11(5-3-1)15-7-12-6-13(8-17-16(12)20-15)14-9-18-19-10-14/h1-10H,(H,17,20)(H,18,19)
InChIKey: NSAWQZXLJIAJFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[nH]1cc(cn1)c2cnc3[nH]c(cc3c2)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4
ACDLabs 12.01c1ccc(cc1)c2nc4c(c2)cc(c3cnnc3)cn4
Name:2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]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).