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BioLiP Library

PDB CCD ID: BGX
Number of entries in BioLiP: 0
Chemical formula: C6 H9 N O2
InChI: InChI=1S/C6H9NO2/c1-4-2-3-7-5(4)6(8)9/h2-5,7H,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKey: ZVJPMCWYCLEWPG-RFZPGFLSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@@H]1C=CN[C@H]1C(O)=O
CACTVS 3.341C[CH]1C=CN[CH]1C(O)=O
ACDLabs 10.04O=C(O)C1NC=CC1C
OpenEye OEToolkits 1.5.0C[C@@H]1C=CN[C@H]1C(=O)O
OpenEye OEToolkits 1.5.0CC1C=CNC1C(=O)O
Name:4-METHYL-PYRROLINE-5-CARBOXYLIC ACID
DrugBank: DB03930
ZINC: ZINC000012504035
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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