BioLiP

PDB

BioLiP

PDB CCD ID:

A1D8Q

Number of entries in BioLiP:

Chemical formula:

C21 H19 F2 N O4

InChI:

InChI=1S/C21H19F2NO4/c22-21(23)28-18-8-5-12(10-19(18)27-14-3-1-2-4-14)9-16-15-7-6-13(25)11-17(15)24-20(16)26/h5-11,14,21,25H,1-4H2,(H,24,26)/b16-9-

InChIKey:

YQSVXQQLXMURHB-SXGWCWSVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C=C2c3ccc(cc3NC2=O)O)OC4CCCC4)OC(F)F
CACTVS 3.385	Oc1ccc2c(NC(=O)C2=Cc3ccc(OC(F)F)c(OC4CCCC4)c3)c1
CACTVS 3.385	Oc1ccc\2c(NC(=O)C\2=C\c3ccc(OC(F)F)c(OC4CCCC4)c3)c1
OpenEye OEToolkits 2.0.7	c1cc(c(cc1/C=C\2/c3ccc(cc3NC2=O)O)OC4CCCC4)OC(F)F

Name:

(3~{Z})-3-[[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylidene]-6-oxidanyl-1~{H}-indol-2-one

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).