SEQ2FUN

BioLiP

PDB CCD ID: HWM
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N5 O2
InChI: InChI=1S/C13H11N5O2/c1-8-6-11(19)12(20)7-18(8)10-4-2-9(3-5-10)13-14-16-17-15-13/h2-7,20H,1H3,(H,14,15,16,17)
InChIKey: OLTCPYAKGLAHBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1nnnc1c2ccc(cc2)N3C(=CC(C(=C3)O)=O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O
Name:5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one
ChEMBL: CHEMBL4531327
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).