BioLiP

PDB

BioLiP

PDB CCD ID:

5BL

Number of entries in BioLiP:

Chemical formula:

C24 H16 N2 O2

InChI:

InChI=1S/C24H16N2O2/c27-24(28)22-11-10-16-13-17(21-9-4-12-25-21)14-20(23(16)26-22)19-8-3-6-15-5-1-2-7-18(15)19/h1-14,25H,(H,27,28)

InChIKey:

RSHSGQQZDAKAOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5
ACDLabs 12.01	c1cc(nc1)c2cc(c3c(c2)ccc(n3)C(=O)O)c5cccc4c5cccc4
CACTVS 3.385	OC(=O)c1ccc2cc(cc(c3cccc4ccccc34)c2n1)c5[nH]ccc5

Name:

8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid

ZINC:

ZINC000118076933

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).