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BioLiP

PDB CCD ID: 2CG
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N O6
InChI: InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
InChIKey: MATPZHBYOVDBLI-JJYYJPOSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N
CACTVS 3.341N[CH]([CH]1[CH]([CH]1C(O)=O)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C1C(C(=O)O)C1C(N)C(=O)O
CACTVS 3.341N[C@@H]([C@@H]1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O
Name:(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid;
(2S,2'R,3'R)-2-(2',3'-dicarboxycyclopropyl)glycine;
DCG IV
ChEMBL: CHEMBL284193
ZINC: ZINC000003995770
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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