BioLiP

PDB

BioLiP

PDB CCD ID:

QAR

Number of entries in BioLiP:

Chemical formula:

C14 H13 N9

InChI:

InChI=1S/C14H13N9/c1-8-17-12(15)21-13(18-8)23-10-5-3-2-4-9(10)19-14(23)20-11-6-7-16-22-11/h2-7H,1H3,(H2,15,17,18,21)(H2,16,19,20,22)

InChIKey:

DMMFPXAFVNDPCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N
CACTVS 3.370	Cc1nc(N)nc(n1)n2c(Nc3cc[nH]n3)nc4ccccc24
ACDLabs 12.01	n1c(nc(nc1n2c4ccccc4nc2Nc3nncc3)N)C

Name:

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine;
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzo[d]imidazol-2-amine

ChEMBL:

CHEMBL1615183

ZINC:

ZINC000064744190

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).