SEQ2FUN

BioLiP

PDB CCD ID: FG7
Number of entries in BioLiP: 4
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
InChIKey: ZMCBYSBVJIMENC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCOC(=O)c1cccc(c1)N
CACTVS 3.370CCOC(=O)c1cccc(N)c1
ACDLabs 12.01O=C(OCC)c1cc(N)ccc1
Name:ethyl 3-aminobenzoate
ChEMBL: CHEMBL1702228
DrugBank: DB11552
ZINC: ZINC000000402652
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).