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BioLiP

PDB CCD ID: 3GV
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O4
InChI: InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1
InChIKey: FPQOSKXLHCTVED-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2N(c1c(O)cccc1)CC(C(=O)O)C2
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N2CC(CC2=O)C(=O)O)O
CACTVS 3.341OC(=O)[C@@H]1CN(C(=O)C1)c2ccccc2O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O
CACTVS 3.341OC(=O)[CH]1CN(C(=O)C1)c2ccccc2O
Name:(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
DrugBank: DB07057
ZINC: ZINC000000213658
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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