BioLiP

PDB

BioLiP

PDB CCD ID:

106

Number of entries in BioLiP:

Chemical formula:

C14 H11 Br N4 O3 S

InChI:

InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)

InChIKey:

ODZNNZYRBRRREX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
ACDLabs 12.01	N1C(/C(c2cc(ccc12)Br)=N\Nc3ccc(cc3)S(=O)(=O)N)=O
CACTVS 3.385	N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1

Name:

4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide

ChEMBL:

CHEMBL411491

ZINC:

ZINC000100375608

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).