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BioLiP

PDB CCD ID: 9RB
Number of entries in BioLiP: 5
Chemical formula: C15 H17 N5 O2
InChI: InChI=1S/C15H17N5O2/c1-10-15(11(2)20(3)18-10)17-16-13-7-4-12(5-8-13)6-9-14(21)19-22/h4-9,22H,1-3H3,(H,19,21)/b9-6+,17-16+
InChIKey: GGZOJTXQALEQJU-OUWLFTCQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO
CACTVS 3.385Cn1nc(C)c(N=Nc2ccc(\C=C\C(=O)NO)cc2)c1C
OpenEye OEToolkits 2.0.5Cc1c(c(n(n1)C)C)N=Nc2ccc(cc2)C=CC(=O)NO
CACTVS 3.385Cn1nc(C)c(N=Nc2ccc(C=CC(=O)NO)cc2)c1C
Name:(2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide
ZINC: ZINC000584905493
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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