BioLiP

PDB

BioLiP

PDB CCD ID:

E4V

Number of entries in BioLiP:

Chemical formula:

C11 H10 N6

InChI:

InChI=1S/C11H10N6/c12-9-3-7(6-1-2-14-11(6)17-9)8-4-16-10(13)5-15-8/h1-5H,(H2,13,16)(H3,12,14,17)

InChIKey:

RYQGSVCSEHEBHC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N
CACTVS 3.385	Nc1cnc(cn1)c2cc(N)nc3[nH]ccc23
ACDLabs 12.01	n1ccc2c1nc(cc2c3cnc(cn3)N)N

Name:

4-(5-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

ZINC:

ZINC000072148604

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).