SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C13 H11 Cl2 N3 O4

InChI:

InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)

InChIKey:

JFGOILLZIAIYGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl
CACTVS 3.385	ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1

Name:

5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide

ChEMBL:

DrugBank:

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).