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BioLiP

PDB CCD ID: UQY
Number of entries in BioLiP: 1
Chemical formula: C7 H14 N2 O
InChI: InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)
InChIKey: OESOTMQEPBMDID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC1(CCCC1)C(N)=O
OpenEye OEToolkits 2.0.7CNC1(CCCC1)C(=O)N
ACDLabs 12.01NC(=O)C1(CCCC1)NC
Name:1-(methylamino)cyclopentane-1-carboxamide
ZINC: ZINC000037869782

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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