SEQ2FUN

BioLiP

PDB CCD ID: HA6
Number of entries in BioLiP: 1
Chemical formula: C10 H7 N5 O2
InChI: InChI=1S/C10H7N5O2/c16-9-7-1-2-11-5-8(7)14-10(15-9)17-6-3-12-13-4-6/h1-5H,(H,12,13)(H,14,15,16)
InChIKey: MOMKPBKMLHPDGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3
OpenEye OEToolkits 1.7.6c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3
Name:2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one
ChEMBL: CHEMBL3770916
ZINC: ZINC000263620756
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).