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BioLiP

PDB CCD ID: TG2
Number of entries in BioLiP: 3
Chemical formula: C18 H17 N O4
InChI: InChI=1S/C18H17NO4/c20-17(21)16-10-15(11-19-16)23-18(22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1
InChIKey: GCIZCIZLSHSWDS-HZPDHXFCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O
CACTVS 3.385OC(=O)[CH]1C[CH](CN1)OC(=O)c2ccc(cc2)c3ccccc3
CACTVS 3.385OC(=O)[C@H]1C[C@H](CN1)OC(=O)c2ccc(cc2)c3ccccc3
Name:4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
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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