BioLiP

PDB

BioLiP

PDB CCD ID:

7ZL

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N4

InChI:

InChI=1S/C10H9ClN4/c11-8-6-13-10(12)15-9(8)14-7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)

InChIKey:

FRISIUXBSNAYFR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)Nc2c(cnc(n2)N)Cl
CACTVS 3.385	Nc1ncc(Cl)c(Nc2ccccc2)n1

Name:

5-chloro-N4-phenylpyrimidine-2,4-diamine

ChEMBL:

CHEMBL4069971

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).