SEQ2FUN

BioLiP

PDB CCD ID: QVC
Number of entries in BioLiP: 1
Chemical formula: C15 H11 N5 O
InChI: InChI=1S/C15H11N5O/c1-9-19-15(21-20-9)10-2-5-16-13(8-10)11-3-6-17-14-12(11)4-7-18-14/h2-8H,1H3,(H,17,18)
InChIKey: DUKMUYCXRFBQQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1nc(on1)c1cc(ncc1)c1ccnc2[NH]ccc21
CACTVS 3.385Cc1noc(n1)c2ccnc(c2)c3ccnc4[nH]ccc34
OpenEye OEToolkits 2.0.7Cc1nc(on1)c2ccnc(c2)c3ccnc4c3cc[nH]4
Name:(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-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).