BioLiP

PDB

BioLiP

PDB CCD ID:

O5C

Number of entries in BioLiP:

Chemical formula:

C18 H14 F N O2

InChI:

InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3

InChIKey:

NSDJNMWFQYNAQU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
OpenEye OEToolkits 2.0.7	Cc1c(c2ccccn2c1C(=O)c3ccc(cc3)F)C(=O)C
CACTVS 3.385	CC(=O)c1c(C)c(n2ccccc12)C(=O)c3ccc(F)cc3

Name:

1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one

ZINC:

ZINC000005532278

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).