BioLiP

PDB

BioLiP

PDB CCD ID:

4W5

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2

InChI:

InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12)

InChIKey:

SKABXDPLIJIWLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2c1cnnc1ccc2C(=O)OCC
CACTVS 3.385	CCOC(=O)c1ccc2n[nH]cc2c1
OpenEye OEToolkits 1.9.2	CCOC(=O)c1ccc2c(c1)c[nH]n2

Name:

ethyl 2H-indazole-5-carboxylate

ZINC:

ZINC000001420666

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).