BioLiP

PDB

BioLiP

PDB CCD ID:

EB9

Number of entries in BioLiP:

Chemical formula:

C19 H16 N2 O3 S

InChI:

InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3

InChIKey:

LIRJKOSHTDJEPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4
CACTVS 3.385	CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4)ccc1c23
ACDLabs 12.01	CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4ccccc4

Name:

N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide

ChEMBL:

CHEMBL3781755

ZINC:

ZINC000000754466

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).