BioLiP

PDB

BioLiP

PDB CCD ID:

X4P

Number of entries in BioLiP:

Chemical formula:

C6 H5 Cl N2 O

InChI:

InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)

InChIKey:

DEMJOLRJLACBRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cc1C(=O)N)Cl
ACDLabs 12.01	C(N)(c1cc(Cl)ncc1)=O
CACTVS 3.385	NC(=O)c1ccnc(Cl)c1

Name:

2-chloropyridine-4-carboxamide

ZINC:

ZINC000000154099

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).