BioLiP

PDB

BioLiP

PDB CCD ID:

362

Number of entries in BioLiP:

Chemical formula:

C14 H10 N6

InChI:

InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)

InChIKey:

PSBXDBLDXUYIFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4
ACDLabs 12.01	n2c4c(c1cccnc1)cnc4ncc2c3cnnc3
CACTVS 3.385	[nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2

Name:

2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine

ChEMBL:

CHEMBL3628368

ZINC:

ZINC000224490685

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).