BioLiP

PDB

BioLiP

PDB CCD ID:

ML7

Number of entries in BioLiP:

Chemical formula:

C19 H16 N2 O3 S

InChI:

InChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22)

InChIKey:

HWMDJNJNDQETFD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(c1cccc(c1)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
CACTVS 3.385	O=C(NN[S](=O)(=O)c1ccccc1)c2cccc(c2)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3

Name:

N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide

ChEMBL:

CHEMBL4562274

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).