SEQ2FUN

BioLiP

PDB CCD ID: A1ABD
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChIKey: SWXFMMWYVSYQGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCNc1ccc(cc1)C(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CCNc1ccc(cc1)C(=O)O
Name:4-(ethylamino)benzoic acid
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).