BioLiP

PDB

BioLiP

PDB CCD ID:

A1H8I

Number of entries in BioLiP:

Chemical formula:

C23 H15 F6 N3 O3

InChI:

InChI=1S/C23H15F6N3O3/c1-23(28,29)10-35-12-6-4-5-11(9-12)14-16(24)18(26)20(19(27)17(14)25)30-21(33)15-13-7-2-3-8-32(13)31-22(15)34/h2-9H,10H2,1H3,(H,30,33)(H,31,34)

InChIKey:

VMNSFPULVHCEOI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(F)(F)COc1cccc(c1)c2c(F)c(F)c(NC(=O)c3c(O)nn4ccccc34)c(F)c2F
OpenEye OEToolkits 2.0.7	CC(COc1cccc(c1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F)(F)F

Name:

N-[4-[3-[2,2-bis(fluoranyl)propoxy]phenyl]-2,3,5,6-tetrakis(fluoranyl)phenyl]-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide;
N-(3'-(2,2-difluoropropoxy)-2,3,5,6-tetrafluoro-[1,1'-biphenyl]-4-yl)-2-hydroxypyrazolo[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).