BioLiP

PDB

BioLiP

PDB CCD ID:

SF5

Number of entries in BioLiP:

Chemical formula:

C18 H23 N3 O5

InChI:

InChI=1S/C18H23N3O5/c1-3-4-5-14(11-16(22)20-24)17-19-15(21-26-17)10-12-6-8-13(9-7-12)18(23)25-2/h6-9,14,24H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1

InChIKey:

PKBQPXFVXNPVJM-CQSZACIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC
CACTVS 3.385	CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(cc2)C(=O)OC)n1
CACTVS 3.385	CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(cc2)C(=O)OC)n1
OpenEye OEToolkits 2.0.4	CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC
ACDLabs 12.01	N(C(CC(c1onc(n1)Cc2ccc(cc2)C(=O)OC)CCCC)=O)O

Name:

methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate

ZINC:

ZINC000584905672

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).