BioLiP

PDB

BioLiP

PDB CCD ID:

DT5

Number of entries in BioLiP:

Chemical formula:

C17 H20 N6 O3 S

InChI:

InChI=1S/C17H20N6O3S/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H2,18,24,25)

InChIKey:

RPJIMTALCNCQLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=S(=O)(N)c1ccc(cc1)Nc2cc(nc3ncnn23)OC4CCCCC4
OpenEye OEToolkits 1.5.0	c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N
CACTVS 3.341	N[S](=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc4ncnn24)cc1

Name:

4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE

ChEMBL:

CHEMBL203407

DrugBank:

DB07688

ZINC:

ZINC000014948097

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).