BioLiP

PDB

BioLiP

PDB CCD ID:

A1EB5

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O2

InChI:

InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)

InChIKey:

RUTVRAJKELSHCC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)n1nnc2cc(ccc12)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)n1c2ccc(cc2nn1)C(=O)O

Name:

1-propan-2-ylbenzotriazole-5-carboxylic acid

ChEMBL:

CHEMBL381638

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).