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BioLiP

PDB CCD ID: FP1
Number of entries in BioLiP: 6
Chemical formula: C7 H10 N2 O
InChI: InChI=1S/C7H10N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6,8,10H,1H3/b7-6-
InChIKey: YDWKOUCMHAMECR-SREVYHEPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CN1C=CC=CC1=CNO
CACTVS 3.341CN1C=CC=C/C1=C/NO
OpenEye OEToolkits 1.5.0CN\1C=CC=C/C1=C/NO
ACDLabs 10.04ON\C=C1\C=CC=CN1C
Name:N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine
ZINC: ZINC000103541787
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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