BioLiP

PDB

BioLiP

PDB CCD ID:

GX5

Number of entries in BioLiP:

Chemical formula:

C15 H13 Cl N4 O

InChI:

InChI=1S/C15H13ClN4O/c1-20(10-5-7-11(21-2)8-6-10)14-13-12(4-3-9-17-13)18-15(16)19-14/h3-9H,1-2H3

InChIKey:

RMEGSJKWVTVCMY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(c1ccc(cc1)OC)c2c3c(cccn3)nc(n2)Cl
CACTVS 3.385	COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23

Name:

2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine

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).