BioLiP

PDB

BioLiP

PDB CCD ID:

A1BQ2

Number of entries in BioLiP:

Chemical formula:

C14 H14 N4 O2

InChI:

InChI=1S/C14H14N4O2/c1-18-12-5-3-2-4-11(12)13(17-18)14(19)15-7-6-10-8-20-9-16-10/h2-5,8-9H,6-7H2,1H3,(H,15,19)

InChIKey:

ONGQCMNCDUWDOR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cn1c2ccccc2c(n1)C(=O)NCCc3cocn3
CACTVS 3.385	Cn1nc(C(=O)NCCc2cocn2)c3ccccc13
ACDLabs 14.52	Cn1nc(C(=O)NCCc2cocn2)c2ccccc21

Name:

1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-indazole-3-carboxamide

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).