SEQ2FUN

BioLiP

PDB CCD ID: A1BQP
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O4
InChI: InChI=1S/C14H18N2O4/c1-20-12-5-3-2-4-10(12)11(17)8-16-7-9(14(15)19)6-13(16)18/h2-5,9,11,17H,6-8H2,1H3,(H2,15,19)/t9-,11-/m0/s1
InChIKey: JFDAVNMAKAEAMC-ONGXEEELSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccccc1[CH](O)CN2C[CH](CC2=O)C(N)=O
OpenEye OEToolkits 3.1.0.0COc1ccccc1C(CN2CC(CC2=O)C(=O)N)O
CACTVS 3.385COc1ccccc1[C@@H](O)CN2C[C@H](CC2=O)C(N)=O
ACDLabs 14.52OC(CN1CC(CC1=O)C(N)=O)c1ccccc1OC
OpenEye OEToolkits 3.1.0.0COc1ccccc1[C@H](CN2C[C@H](CC2=O)C(=O)N)O
Name:(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).