BioLiP

PDB

BioLiP

PDB CCD ID:

A1L3F

Number of entries in BioLiP:

Chemical formula:

C6 H7 Cl N2

InChI:

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

InChIKey:

KQJKUOYVWLBSDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCc1ccc(Cl)cn1
OpenEye OEToolkits 2.0.7	c1cc(ncc1Cl)CN

Name:

(5-chloranylpyridin-2-yl)methanamine

ChEMBL:

CHEMBL4583748

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).