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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: WOM
Number of entries in BioLiP: 1
Chemical formula: C6 H3 Cl3 N2 O2
InChI: InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
InChIKey: NQQVFXUMIDALNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl
OpenEye OEToolkits 2.0.7c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N
ACDLabs 12.01c1(N)c(Cl)c(C(O)=O)nc(c1Cl)Cl
Name:Picloram;
4-amino-3,5,6-trichloropyridine-2-carboxylic acid
ChEMBL: CHEMBL461349
ZINC: ZINC000001237662

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).
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