SEQ2FUN

BioLiP

PDB CCD ID: XP1
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey: YDIYEOMDOWUDTJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1ccc(cc1)C(=O)O
CACTVS 3.341CN(C)c1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)c1ccc(N(C)C)cc1
Name:4-(DIMETHYLAMINO)BENZOIC ACID
ChEMBL: CHEMBL112322
DrugBank: DB08748
ZINC: ZINC000000388582
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).