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BioLiP

PDB CCD ID: 1BA
Number of entries in BioLiP: 1
Chemical formula: C17 H20 N2 O2
InChI: InChI=1S/C17H20N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-10,12,18,20H,11H2,1-2H3,(H,19,21)
InChIKey: MFDXHRPPSJRQFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1
ACDLabs 10.04O=C(c1ccc(O)cc1)NNCc2ccc(cc2)C(C)C
OpenEye OEToolkits 1.5.0CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O
Name:4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
DrugBank: DB06884
ZINC: ZINC000038478012
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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