BioLiP

PDB

BioLiP

PDB CCD ID:

MNJ

Number of entries in BioLiP:

Chemical formula:

C19 H15 F N2 O3 S

InChI:

InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23)

InChIKey:

MRSZFKKARPPDOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F
ACDLabs 12.01	c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O
CACTVS 3.385	Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3

Name:

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

ChEMBL:

CHEMBL4460509

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).