BioLiP

PDB

BioLiP

PDB CCD ID:

O1K

Number of entries in BioLiP:

Chemical formula:

C10 H5 Cl2 N5

InChI:

InChI=1S/C10H5Cl2N5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H

InChIKey:

MZVKJKCCHKCFTH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ncc(Cl)c(n1)n2ccc3ncncc23
OpenEye OEToolkits 2.0.7	c1cn(c2c1ncnc2)c3c(cnc(n3)Cl)Cl
ACDLabs 12.01	Clc1cnc(Cl)nc1n1ccc2ncncc21

Name:

(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine

ChEMBL:

CHEMBL5191167

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).