BioLiP

PDB

BioLiP

PDB CCD ID:

55F

Number of entries in BioLiP:

Chemical formula:

C19 H15 F N6 O

InChI:

InChI=1S/C19H15FN6O/c1-10-13(20)4-6-15(23-10)18-17(25-19(26-18)24-11(2)27)12-3-5-14-16(9-12)22-8-7-21-14/h3-9H,1-2H3,(H2,24,25,26,27)

InChIKey:

TYPILNNEZPSNTI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F
ACDLabs 10.04	O=C(Nc3nc(c(c2cc1nccnc1cc2)n3)c4nc(c(F)cc4)C)C
CACTVS 3.341	CC(=O)Nc1[nH]c(c2ccc3nccnc3c2)c(n1)c4ccc(F)c(C)n4

Name:

N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide

ChEMBL:

CHEMBL519939

DrugBank:

DB07152

ZINC:

ZINC000039716195

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).