SEQ2FUN

BioLiP

PDB CCD ID: WX6
Number of entries in BioLiP: 1
Chemical formula: C13 H16 N4 O2
InChI: InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19)
InChIKey: VRIFLYXZFJUMPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1
OpenEye OEToolkits 2.0.7c1cnc2c(c1C(=O)N3CCCCCC3)nc([nH]2)O
CACTVS 3.385Oc1[nH]c2nccc(C(=O)N3CCCCCC3)c2n1
Name:(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone
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).