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BioLiP

PDB CCD ID: 04H
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N4
InChI: InChI=1S/C7H16N4/c8-4-6-2-1-3-11(5-6)7(9)10/h6H,1-5,8H2,(H3,9,10)/t6-/m0/s1
InChIKey: KCFNKNPGJGJUPV-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC[C@@H]1CCCN(C1)C(N)=N
OpenEye OEToolkits 1.9.2C1CC(CN(C1)C(=N)N)CN
ACDLabs 12.01[N@H]=C(N)N1CCCC(CN)C1
CACTVS 3.385NC[CH]1CCCN(C1)C(N)=N
OpenEye OEToolkits 1.9.2[H]/N=C(\N)/N1CCC[C@H](C1)CN
Name:(3S)-3-(aminomethyl)piperidine-1-carboximidamide
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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