BioLiP

PDB

BioLiP

PDB CCD ID:

8G8

Number of entries in BioLiP:

Chemical formula:

C6 H5 Cl N4

InChI:

InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3

InChIKey:

AMVDDOZWEOPXRR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cnc2cnc(Cl)nc12
OpenEye OEToolkits 2.0.6	Cn1cnc2c1nc(nc2)Cl

Name:

2-chloranyl-9-methyl-purine

ZINC:

ZINC000004243259

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).