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BioLiP

PDB CCD ID: UYW
Number of entries in BioLiP: 1
Chemical formula: C15 H16 Cl N4 O
InChI: InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+
InChIKey: QLZIJPLTRJOVDN-DJKKODMXSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl
CACTVS 3.385NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C=NNC(=[NH2+])N)OCc2ccc(cc2)Cl
CACTVS 3.385NC(=[NH2+])N/N=C/c1ccccc1OCc2ccc(Cl)cc2
Name:[azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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