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BioLiP

PDB CCD ID: AMJ
Number of entries in BioLiP: 1
Chemical formula: C13 H18 N2 O3
InChI: InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
InChIKey: VPPJLAIAVCUEMN-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=C(NC(C(=O)NCc1ccccc1)COC)C
OpenEye OEToolkits 1.7.0CC(=O)NC(COC)C(=O)NCc1ccccc1
CACTVS 3.352COC[C@H](NC(C)=O)C(=O)NCc1ccccc1
CACTVS 3.352COC[CH](NC(C)=O)C(=O)NCc1ccccc1
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1
Name:N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
ChEMBL: CHEMBL58322
ZINC: ZINC000029562604
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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