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BioLiP

PDB CCD ID: 46W
Number of entries in BioLiP: 2
Chemical formula: C7 H15 N3
InChI: InChI=1S/C7H15N3/c1-6-2-4-10(5-3-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKey: NIWNTTFADJMCIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[N@H]=C(N)N1CCC(C)CC1
CACTVS 3.385CC1CCN(CC1)C(N)=N
OpenEye OEToolkits 1.9.2[H]/N=C(\N)/N1CCC(CC1)C
OpenEye OEToolkits 1.9.2CC1CCN(CC1)C(=N)N
Name:4-methylpiperidine-1-carboximidamide
ZINC: ZINC000004219215
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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