BioLiP

PDB

BioLiP

PDB CCD ID:

IU3

Number of entries in BioLiP:

Chemical formula:

C16 H12 N4 O4

InChI:

InChI=1S/C16H12N4O4/c17-10-4-1-3-9(7-10)12-8-20(19-18-12)13-6-2-5-11(15(21)22)14(13)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24)

InChIKey:

DWPDIQGMWFQFRN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)N)c2cn(nn2)c3cccc(c3C(=O)O)C(=O)O
CACTVS 3.385	Nc1cccc(c1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O

Name:

3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid

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).