BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3F

Number of entries in BioLiP:

Chemical formula:

C5 H6 Cl N3

InChI:

InChI=1S/C5H6ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H,1,7H2

InChIKey:

HLLBMNORHOVEHX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCc1ncc(Cl)cn1
OpenEye OEToolkits 2.0.7	c1c(cnc(n1)CN)Cl

Name:

(5-chloranylpyrimidin-2-yl)methanamine

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).