BioLiP

PDB

BioLiP

PDB CCD ID:

ZOM

Number of entries in BioLiP:

Chemical formula:

C15 H14 Cl N O3

InChI:

InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)

InChIKey:

ZXVNMYWKKDOREA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2
OpenEye OEToolkits 1.7.0	Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O
ACDLabs 12.01	O=C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2

Name:

[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid;
Zomepirac

ChEMBL:

CHEMBL19490

DrugBank:

DB04828

ZINC:

ZINC000000057537

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).