BioLiP

PDB

BioLiP

PDB CCD ID:

01I

Number of entries in BioLiP:

Chemical formula:

C16 H8 O6

InChI:

InChI=1S/C16H8O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H,(H,17,18)(H,19,20)

InChIKey:

IPFSIVVOJSEJOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O
CACTVS 3.370	OC(=O)c1oc2cc3c(ccc4oc(cc34)C(O)=O)cc2c1
ACDLabs 12.01	O=C(O)c1oc4c(c1)c3cc2oc(cc2cc3cc4)C(=O)O

Name:

naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid

ZINC:

ZINC000001617353

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).