BioLiP

PDB

BioLiP

PDB CCD ID:

HIB

Number of entries in BioLiP:

Chemical formula:

C10 H11 I O5

InChI:

InChI=1S/C10H11IO5/c1-4-5(10(13)14)8(15-2)9(16-3)7(12)6(4)11/h12H,1-3H3,(H,13,14)

InChIKey:

JFNYBTUZUIKXSC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O
ACDLabs 10.04	O=C(O)c1c(OC)c(OC)c(O)c(I)c1C
CACTVS 3.341	COc1c(O)c(I)c(C)c(C(O)=O)c1OC

Name:

4-HYDROXY-5-IODO-2,3-DIMETHOXY-6-METHYLBENZOIC ACID

ZINC:

ZINC000008299656

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).