BioLiP

PDB

BioLiP

PDB CCD ID:

RJS

Number of entries in BioLiP:

Chemical formula:

C15 H11 Br F N3 O3 S

InChI:

InChI=1S/C15H11BrFN3O3S/c16-12-5-4-10(7-13(12)17)9-24(22,23)19-15(21)11-8-18-20-6-2-1-3-14(11)20/h1-8H,9H2,(H,19,21)

InChIKey:

LSGXMSZZZZALLZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c(c3)F)Br
ACDLabs 12.01	Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c1cnn2ccccc12
CACTVS 3.385	Fc1cc(C[S](=O)(=O)NC(=O)c2cnn3ccccc23)ccc1Br

Name:

(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide

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).