SEQ2FUN

BioLiP

PDB CCD ID: 3K1
Number of entries in BioLiP: 1
Chemical formula: C11 H8 N6 O2
InChI: InChI=1S/C11H8N6O2/c18-8-5-12-9(13-11(8)19)6-1-3-7(4-2-6)10-14-16-17-15-10/h1-5,18H,(H,12,13,19)(H,14,15,16,17)
InChIKey: PZUKKDSOBAHLMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC1=CN=C(NC1=O)c2ccc(cc2)c3[nH]nnn3
OpenEye OEToolkits 1.9.2c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O
ACDLabs 12.01O=C3C(O)=CN=C(c2ccc(c1nnnn1)cc2)N3
Name:5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one
ChEMBL: CHEMBL3335580
ZINC: ZINC000147050219
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).