BioLiP

PDB

BioLiP

PDB CCD ID:

5ZM

Number of entries in BioLiP:

Chemical formula:

C16 H14 F N O

InChI:

InChI=1S/C16H14FNO/c1-16(2)13-9-11(5-8-14(13)18-15(16)19)10-3-6-12(17)7-4-10/h3-9H,1-2H3,(H,18,19)

InChIKey:

VXOIAVBQYFDIBS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C
CACTVS 3.385	CC1(C)C(=O)Nc2ccc(cc12)c3ccc(F)cc3

Name:

5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE

ZINC:

ZINC000041325230

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).