BioLiP

PDB

BioLiP

PDB CCD ID:

35X

Number of entries in BioLiP:

Chemical formula:

C17 H16 N6

InChI:

InChI=1S/C17H16N6/c1-2-7-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-3-5-18-6-4-12/h3-6,8-11H,2,7H2,1H3,(H,19,20)

InChIKey:

UEKKWQGHDYXDHX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1ccc(cc1)c3nc4c(c2cn(nc2)CCC)cnc4nc3
OpenEye OEToolkits 1.7.6	CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4
CACTVS 3.385	CCCn1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4

Name:

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

ChEMBL:

CHEMBL3628378

ZINC:

ZINC000224561543

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).