BioLiP

PDB

BioLiP

PDB CCD ID:

LTF

Number of entries in BioLiP:

Chemical formula:

C15 H20 N2 O5

InChI:

InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1

InChIKey:

DGGKRIGJIQRXQD-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO
CACTVS 3.370	CCCc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO
CACTVS 3.370	CCCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO
OpenEye OEToolkits 1.7.6	CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO
ACDLabs 12.01	O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CCC

Name:

(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

ChEMBL:

CHEMBL107313

ZINC:

ZINC000003821308

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).