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BioLiP

PDB CCD ID: SQ
Number of entries in BioLiP: 0
Chemical formula: C7 H12 N2 O2
InChI: InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3
InChIKey: FYAIPBIOBLLUAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCN[C@@H]1[C@H](NC)C(=O)C1=O
ACDLabs 10.04O=C1C(=O)C(NCC)C1NC
OpenEye OEToolkits 1.5.0CCNC1C(C(=O)C1=O)NC
CACTVS 3.341CCN[CH]1[CH](NC)C(=O)C1=O
Name:3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE;
SQUARIC ACID
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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