BioLiP

PDB

BioLiP

PDB CCD ID:

NNU

Number of entries in BioLiP:

Chemical formula:

C6 H7 Cl N2

InChI:

InChI=1S/C6H7ClN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H,3,8H2

InChIKey:

ORHVJXZYOADENO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccncc1CN
OpenEye OEToolkits 1.7.2	c1cncc(c1Cl)CN
CACTVS 3.370	NCc1cnccc1Cl

Name:

1-(4-chloropyridin-3-yl)methanamine

ZINC:

ZINC000035570032

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).