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BioLiP

PDB CCD ID: T1E
Number of entries in BioLiP: 0
Chemical formula: C16 H26 N4 O2
InChI: InChI=1S/C16H26N4O2/c1-17-16(18-2)19-12-5-7-20(8-6-12)13-9-14(21-3)11-15(10-13)22-4/h9-12H,5-8H2,1-4H3,(H2,17,18,19)
InChIKey: NEBYSUCGTBALOK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=NC)NC1CCN(CC1)c2cc(cc(c2)OC)OC
CACTVS 3.385CNC(NC1CCN(CC1)c2cc(OC)cc(OC)c2)=NC
OpenEye OEToolkits 2.0.7CN/C(=N/C)/NC1CCN(CC1)c2cc(cc(c2)OC)OC
Name:1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine
ChEMBL: CHEMBL5183551
ZINC: ZINC000096484086
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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