BioLiP

PDB

BioLiP

PDB CCD ID:

5TQ

Number of entries in BioLiP:

Chemical formula:

C16 H17 F N2 O3

InChI:

InChI=1S/C16H17FN2O3/c17-10-3-4-11-12(8-10)16(22)18-14-5-7-19(9-13(11)14)6-1-2-15(20)21/h3-4,8H,1-2,5-7,9H2,(H,18,22)(H,20,21)

InChIKey:

HXURHTYUPWDBOT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O
CACTVS 3.385	OC(=O)CCCN1CCC2=C(C1)c3ccc(F)cc3C(=O)N2

Name:

4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid

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).