BioLiP

PDB

BioLiP

PDB CCD ID:

QYW

Number of entries in BioLiP:

Chemical formula:

C13 H10 N6

InChI:

InChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19)

InChIKey:

AWVFEGNSWDVVKZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc(N)c2c([nH]c(c3cccnc3)c2C#N)n1
OpenEye OEToolkits 2.0.7	Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N

Name:

4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

ChEMBL:

CHEMBL5091344

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).