BioLiP

PDB

BioLiP

PDB CCD ID:

UZ3

Number of entries in BioLiP:

Chemical formula:

C15 H13 Cl2 N3 O3

InChI:

InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22)

InChIKey:

LGINOCHKOLUZAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(=O)N
CACTVS 3.385	COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1

Name:

2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide

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).