BioLiP

PDB

BioLiP

PDB CCD ID:

9QY

Number of entries in BioLiP:

Chemical formula:

C20 H19 Cl N2 O4

InChI:

InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3

InChIKey:

NCWIQXPFJORNJP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O
CACTVS 3.385	COC(=O)c1c(O)cc(O)c(Cl)c1CCc2nccn2Cc3ccccc3
ACDLabs 12.01	COC(=O)c3c(cc(c(c3CCc2nccn2Cc1ccccc1)Cl)O)O

Name:

methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate;
resorcinylic inhibitor BnIm

ChEMBL:

CHEMBL3426787

ZINC:

ZINC000201654561

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).