SEQ2FUN

BioLiP

PDB CCD ID: 3WK
Number of entries in BioLiP: 1
Chemical formula: C13 H11 N5 O
InChI: InChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-13-11-10(19)5-6-15-12(11)16-7-17-13/h1-4,6-7H,5,14H2,(H,16,17,18)
InChIKey: FWUUBTREFIXWHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c2c(ncnc2N=CC1)Nc3ccc(N)cc3
OpenEye OEToolkits 1.9.2c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O
CACTVS 3.385Nc1ccc(Nc2ncnc3N=CCC(=O)c23)cc1
Name:4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one
ZINC: ZINC000263620444
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).