BioLiP

PDB

BioLiP

PDB CCD ID:

NRM

Number of entries in BioLiP:

Chemical formula:

C13 H11 N7 S

InChI:

InChI=1S/C13H11N7S/c1-8-4-11(21-19-8)18-12-13-15-7-10(9-5-16-17-6-9)20(13)3-2-14-12/h2-7H,1H3,(H,14,18)(H,16,17)

InChIKey:

XWFNCZUACYBPGT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4
CACTVS 3.370	Cc1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1
ACDLabs 12.01	n4c(Nc1snc(c1)C)c3ncc(c2cnnc2)n3cc4

Name:

N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

ChEMBL:

CHEMBL1234822

ZINC:

ZINC000058639126

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).