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BioLiP

PDB CCD ID: PUE
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O2
InChI: InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)/t9-/m1/s1
InChIKey: IOFLKIRLUFZCHR-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CCC(C2)C(=O)O
CACTVS 3.385OC(=O)[CH]1CCN(C1)c2ccccc2
CACTVS 3.385OC(=O)[C@@H]1CCN(C1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CC[C@H](C2)C(=O)O
Name:(3~{R})-1-phenylpyrrolidine-3-carboxylic acid
ZINC: ZINC000020357882
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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