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BioLiP

PDB CCD ID: 2PC
Number of entries in BioLiP: 2
Chemical formula: C5 H7 N O2
InChI: InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
InChIKey: RHTAIKJZSXNELN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C1=[NH+]CCC1
OpenEye OEToolkits 1.5.0C1CC(=[NH+]C1)C(=O)[O-]
Name:3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE
ChEMBL: CHEMBL18591
DrugBank: DB02838
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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