BioLiP

PDB

BioLiP

PDB CCD ID:

NQH

Number of entries in BioLiP:

Chemical formula:

C10 H10 Cl N3

InChI:

InChI=1S/C10H10ClN3/c11-10-8(5-12)9(3-4-13-10)14-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14)

InChIKey:

NLBNRXHKCJFZBY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(c(c1NCC2CC2)C#N)Cl
CACTVS 3.385	Clc1nccc(NCC2CC2)c1C#N

Name:

2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile

ChEMBL:

CHEMBL4464160

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).