BioLiP

PDB

BioLiP

PDB CCD ID:

UWZ

Number of entries in BioLiP:

Chemical formula:

C20 H23 F2 N5 O4

InChI:

InChI=1S/C20H23F2N5O4/c1-23-16(28)12-27(11-13-6-2-3-7-15(13)31-20(21)22)18(29)14-10-24-17(25-14)19(30)26-8-4-5-9-26/h2-3,6-7,10,20H,4-5,8-9,11-12H2,1H3,(H,23,28)(H,24,25)

InChIKey:

UHBFOFSFPSKTRS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3

Name:

~{N}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{H}-imidazole-4-carboxamide

ChEMBL:

CHEMBL4779479

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).