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BioLiP

PDB CCD ID: A1D7V
Number of entries in BioLiP: 1
Chemical formula: C15 H18 N2 O
InChI: InChI=1S/C15H18N2O/c1-11(2)3-4-12-5-6-14-13(7-8-17-18)10-16-15(14)9-12/h3,5-6,8-10,16,18H,4,7H2,1-2H3/b17-8-
InChIKey: DBTCDTYONKJKNS-IUXPMGMMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)=CCc1ccc2c(C\C=N/O)c[nH]c2c1
OpenEye OEToolkits 2.0.7CC(=CCc1ccc2c(c1)[nH]cc2CC=NO)C
OpenEye OEToolkits 2.0.7CC(=CCc1ccc2c(c1)[nH]cc2C/C=N\O)C
CACTVS 3.385CC(C)=CCc1ccc2c(CC=NO)c[nH]c2c1
Name:(~{N}~{Z})-~{N}-[2-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]ethylidene]hydroxylamine
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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