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BioLiP

PDB CCD ID: DMK
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O4
InChI: InChI=1S/C6H11NO4/c1-6(2,5(10)11)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-/m1/s1
InChIKey: NWZACHOBRMGGPL-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)(C(C(=O)O)N)C(=O)O
ACDLabs 12.01NC(C(C(O)=O)(C)C)C(=O)O
OpenEye OEToolkits 1.7.6CC(C)([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.385CC(C)([CH](N)C(O)=O)C(O)=O
CACTVS 3.385CC(C)([C@H](N)C(O)=O)C(O)=O
Name:3,3-DIMETHYL ASPARTIC ACID
ZINC: ZINC000006762070
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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