SEQ2FUN

BioLiP

PDB CCD ID: MAZ
Number of entries in BioLiP: 0
Chemical formula: C8 H9 N O3
InChI: InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey: CWAAZOLITXUAMV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)N)COC(=O)O
CACTVS 3.385Nc1cccc(COC(O)=O)c1
ACDLabs 10.04O=COCc1cc(N)ccc1
Name:FORMIC ACID 3-AMINO-BENZYL ESTER;
META-AMINO BENZYLOCARBONYL
ZINC: ZINC000006392132
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).