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BioLiP

PDB CCD ID: 273
Number of entries in BioLiP: 1
Chemical formula: C6 H12 N2
InChI: InChI=1S/C6H12N2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H3,7,8)
InChIKey: RMALUJUDHRIMQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(\C1CCCC1)/N
OpenEye OEToolkits 1.5.0[H]N=C(C1CCCC1)N
CACTVS 3.341NC(=N)C1CCCC1
ACDLabs 10.04[N@H]=C(N)C1CCCC1
Name:cyclopentanecarboximidamide
ChEMBL: CHEMBL1229853
ZINC: ZINC000001433065
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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