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BioLiP

PDB CCD ID: 52A
Number of entries in BioLiP: 2
Chemical formula: C6 H10 N2 O4
InChI: InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1
InChIKey: XZFMJVJDSYRWDQ-AWFVSMACSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(NCC1(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.5.0C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O
ACDLabs 10.04O=C(O)C1(N)CC(C(=O)O)NC1
CACTVS 3.341N[C]1(CN[CH](C1)C(O)=O)C(O)=O
CACTVS 3.341N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O
Name:(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid;
2R,4R-APDC
ChEMBL: CHEMBL40086
ZINC: ZINC000032628523
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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