BioLiP

PDB

BioLiP

PDB CCD ID:

A1AJ0

Number of entries in BioLiP:

Chemical formula:

C9 H9 N3 O2

InChI:

InChI=1S/C9H9N3O2/c1-6-2-7-4-11-12(5-8(13)14)9(7)10-3-6/h2-4H,5H2,1H3,(H,13,14)

InChIKey:

KICZOAAIQKXMFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cnc2n(CC(O)=O)ncc2c1
ACDLabs 12.01	O=C(O)Cn1ncc2cc(C)cnc21
OpenEye OEToolkits 2.0.7	Cc1cc2cnn(c2nc1)CC(=O)O

Name:

(5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic 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).