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BioLiP

PDB CCD ID: EKD
Number of entries in BioLiP: 4
Chemical formula: C8 H13 N O3
InChI: InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKey: JXKXKOUBASQQOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C(=O)NC1CCCCC1
OpenEye OEToolkits 2.0.6C1CCC(CC1)NC(=O)C(=O)O
ACDLabs 12.01C(C(NC1CCCCC1)=O)(O)=O
Name:(cyclohexylamino)(oxo)acetic acid
ZINC: ZINC000011535759
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)(download the PDF file).
  • 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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