BioLiP

PDB

BioLiP

PDB CCD ID:

N9F

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O

InChI:

InChI=1S/C10H11N3O/c1-7(14)11-5-8-2-3-10-9(4-8)6-12-13-10/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)

InChIKey:

HLISOCFZUBIOAM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NCc1ccc2[nH]ncc2c1
OpenEye OEToolkits 2.0.7	CC(=O)NCc1ccc2c(c1)cn[nH]2

Name:

~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

ChEMBL:

CHEMBL5199754

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).