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BioLiP Library

PDB CCD ID: 7TK
Number of entries in BioLiP: 0
Chemical formula: C8 H14 N2 O3
InChI: InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1
InChIKey: MGJPXVYXTDEHEJ-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CC(O)=O)C(=O)N1CCCC1
OpenEye OEToolkits 2.0.7C1CCN(C1)C(=O)C(CC(=O)O)N
OpenEye OEToolkits 2.0.7C1CCN(C1)C(=O)[C@H](CC(=O)O)N
CACTVS 3.385N[C@@H](CC(O)=O)C(=O)N1CCCC1
Name:(3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid
ChEMBL: CHEMBL499101
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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