SEQ2FUN

BioLiP

PDB CCD ID: 01X
Number of entries in BioLiP: 0
Chemical formula: C9 H10 Cl N O3
InChI: InChI=1S/C9H10ClNO3/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3H,4-5,11H2,(H,12,13)
InChIKey: SXKBUHHKKNFJLT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NCc1cc(Cl)ccc1OCC(O)=O
OpenEye OEToolkits 1.7.0c1cc(c(cc1Cl)CN)OCC(=O)O
ACDLabs 12.01Clc1cc(c(OCC(=O)O)cc1)CN
Name:[2-(aminomethyl)-4-chlorophenoxy]acetic acid
ZINC: ZINC000098207738
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).