BioLiP

PDB

BioLiP

PDB CCD ID:

938

Number of entries in BioLiP:

Chemical formula:

C4 H4 Cl N3

InChI:

InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2

InChIKey:

LHGMCUVJFRBVBH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c(c(ncn1)Cl)N
CACTVS 3.385	Nc1cncnc1Cl

Name:

4-chloranylpyrimidin-5-amine

ZINC:

ZINC000037594042

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).