BioLiP

PDB

BioLiP

PDB CCD ID:

SF7

Number of entries in BioLiP:

Chemical formula:

C16 H20 F N3 O3

InChI:

InChI=1S/C16H20FN3O3/c1-2-3-4-12(10-15(21)19-22)16-18-14(20-23-16)9-11-5-7-13(17)8-6-11/h5-8,12,22H,2-4,9-10H2,1H3,(H,19,21)/t12-/m1/s1

InChIKey:

NPHICFLHFQUZKX-GFCCVEGCSA-N

SMILES:

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

Name:

(3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide

ZINC:

ZINC000203341391

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).