SEQ2FUN

BioLiP

PDB CCD ID: 7ZO
Number of entries in BioLiP: 1
Chemical formula: C12 H9 Cl N4 O
InChI: InChI=1S/C12H9ClN4O/c13-9-5-14-6-15-12(9)16-8-1-2-10-7(3-8)4-11(18)17-10/h1-3,5-6H,4H2,(H,17,18)(H,14,15,16)
InChIKey: XGLOINXVRYWOSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cncnc1Nc2ccc3NC(=O)Cc3c2
OpenEye OEToolkits 2.0.6c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2
Name:5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one
ChEMBL: CHEMBL4090952
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).