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BioLiP

PDB CCD ID: O14
Number of entries in BioLiP: 1
Chemical formula: C14 H20 N4 O
InChI: InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+
InChIKey: FNLKRNACHKABQI-LICLKQGHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N
CACTVS 3.352CN1CCC(CC1)ON=Cc2ccc(cc2)C(N)=N
CACTVS 3.352CN1CCC(CC1)O\N=C\c2ccc(cc2)C(N)=N
OpenEye OEToolkits 1.7.0CN1CCC(CC1)ON=Cc2ccc(cc2)C(=N)N
ACDLabs 11.02N(/OC1CCN(C)CC1)=C\c2ccc(C(=[N@H])N)cc2
Name:(E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide
ZINC: ZINC000058638800
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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