BioLiP

PDB

BioLiP

PDB CCD ID:

B5T

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 O2 S

InChI:

InChI=1S/C18H14N4O2S/c19-25(23,24)15-5-3-12(4-6-15)14-8-16-17(11-22-18(16)21-10-14)13-2-1-7-20-9-13/h1-11H,(H,21,22)(H2,19,23,24)

InChIKey:

GUBNPZDHUYZSLK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)c2cnc3[nH]cc(c4cccnc4)c3c2
OpenEye OEToolkits 2.0.6	c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N

Name:

4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide

ChEMBL:

CHEMBL4164814

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).