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BioLiP

PDB CCD ID: 04P
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N3 O
InChI: InChI=1S/C7H15N3O/c8-7(9)10-3-1-2-6(4-10)5-11/h6,11H,1-5H2,(H3,8,9)/t6-/m1/s1
InChIKey: YEVFLUKQHJTSMN-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)N1CCC[CH](CO)C1
CACTVS 3.385NC(=N)N1CCC[C@@H](CO)C1
ACDLabs 12.01[N@H]=C(N)N1CCCC(CO)C1
OpenEye OEToolkits 1.9.2[H]/N=C(\N)/N1CCC[C@H](C1)CO
OpenEye OEToolkits 1.9.2C1CC(CN(C1)C(=N)N)CO
Name:(3R)-3-(hydroxymethyl)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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