SEQ2FUN

BioLiP

PDB CCD ID: ZAT
Number of entries in BioLiP: 1
Chemical formula: C19 H24 N10 O
InChI: InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)/b26-11+,27-12+
InChIKey: HCAQGQIHBFVVIX-LYXAAFRTSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NNC(N)=N)cc1
CACTVS 3.341C\C(=N/NC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)\C(C)=N\NC(N)=N)cc1
ACDLabs 10.04O=C(Nc1ccc(cc1)\C(=N\NC(=[N@H])N)C)Nc2ccc(\C(=N\NC(=[N@H])N)C)cc2
OpenEye OEToolkits 1.5.0[H]N=C(N)NN=C(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C
Name:4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)
ChEMBL: CHEMBL142485
ZINC: ZINC000013981739
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).