BioLiP

PDB

BioLiP

PDB CCD ID:

EB7

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl F N2 O3 S

InChI:

InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3

InChIKey:

JRNIXDMQFKHQLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23
OpenEye OEToolkits 1.9.2	CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F
ACDLabs 12.01	Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC

Name:

2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide

ChEMBL:

CHEMBL3780706

ZINC:

ZINC000263620618

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).