SEQ2FUN

BioLiP

PDB CCD ID: CJZ
Number of entries in BioLiP: 2
Chemical formula: C13 H9 Cl2 N O3
InChI: InChI=1S/C13H9Cl2NO3/c14-9-5-7(6-10(15)12(9)17)16-11-4-2-1-3-8(11)13(18)19/h1-6,16-17H,(H,18,19)
InChIKey: AKTRZQGZDAYEOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl
ACDLabs 12.01Clc1cc(cc(Cl)c1O)Nc2ccccc2C(=O)O
CACTVS 3.370OC(=O)c1ccccc1Nc2cc(Cl)c(O)c(Cl)c2
Name:2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid
ChEMBL: CHEMBL1231799
ZINC: ZINC000035994951
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).