BioLiP

PDB

BioLiP

PDB CCD ID:

FZ8

Number of entries in BioLiP:

Chemical formula:

C17 H17 N7

InChI:

InChI=1S/C17H17N7/c1-2-4-14-13(3-1)21-15(22-14)11-5-7-24(8-6-11)17-12-9-20-23-16(12)18-10-19-17/h1-4,9-11H,5-8H2,(H,21,22)(H,18,19,20,23)

InChIKey:

SAOVCWDCHHZCCL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1c(c2c(nc1)nnc2)N5CCC(c4nc3ccccc3n4)CC5
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4
CACTVS 3.385	C1CN(CCC1c2[nH]c3ccccc3n2)c4ncnc5[nH]ncc45

Name:

4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine

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).