SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl
OpenEye OEToolkits 2.0.7	c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N
ACDLabs 12.01	c1(N)c(Cl)c(C(O)=O)nc(c1Cl)Cl

Name:

Picloram;
4-amino-3,5,6-trichloropyridine-2-carboxylic acid

ChEMBL:

ZINC:

ZINC000001237662

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).