BioLiP

PDB

BioLiP

PDB CCD ID:

NYX

Number of entries in BioLiP:

Chemical formula:

C10 H10 Cl N3 O

InChI:

InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)

InChIKey:

ISIFBXASHNTXOY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ClCC(=O)NCc1ccc2[nH]ncc2c1
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1CNC(=O)CCl)cn[nH]2

Name:

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

ChEMBL:

CHEMBL5187877

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).