BioLiP

PDB

BioLiP

PDB CCD ID:

A1EC7

Number of entries in BioLiP:

Chemical formula:

C16 H19 N3 O5

InChI:

InChI=1S/C16H19N3O5/c1-9-12(16(21)22)7-11(23-9)8-19(2)14(20)6-5-13-17-15(18-24-13)10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,21,22)

InChIKey:

QFOSACYCLBYVKP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cc(o1)CN(C)C(=O)CCc2nc(no2)C3CC3)C(=O)O
CACTVS 3.385	CN(Cc1oc(C)c(c1)C(O)=O)C(=O)CCc2onc(n2)C3CC3

Name:

5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid

ChEMBL:

CHEMBL5180458

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).