BioLiP

PDB

BioLiP

PDB CCD ID:

HDT

Number of entries in BioLiP:

Chemical formula:

C17 H14 N6 O2 S

InChI:

InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)

InChIKey:

NKORVPQBJCGYEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N
CACTVS 3.341	N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1
ACDLabs 10.04	O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34

Name:

4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE

ChEMBL:

CHEMBL73303

DrugBank:

DB02197

ZINC:

ZINC000001493866

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).