BioLiP

PDB

BioLiP

PDB CCD ID:

HR0

Number of entries in BioLiP:

Chemical formula:

C11 H7 N5 O

InChI:

InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)

InChIKey:

FIRSAIIBSBCBTF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c2nc(c3cccnc3n2n1)O)C#N
CACTVS 3.385	Cc1nn2c3ncccc3c(O)nc2c1C#N

Name:

5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile

ChEMBL:

CHEMBL4090908

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).