BioLiP

PDB

BioLiP

PDB CCD ID:

A1L2L

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O6

InChI:

InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,23H,5-8H2,(H,17,22)(H,19,20)

InChIKey:

UWIIFTJFUAMASV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)C(=C(N2OCC3CC3)O)C(=O)NCC(=O)O
CACTVS 3.385	OC(=O)CNC(=O)C1=C(O)N(OCC2CC2)c3ccccc3C1=O

Name:

2-[[1-(cyclopropylmethoxy)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic 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).