BioLiP

PDB

BioLiP

PDB CCD ID:

A1BMW

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O3

InChI:

InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m0/s1

InChIKey:

VMYFKAZPRAZUQC-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(NCC1CCOC1)c1cc(C)no1
OpenEye OEToolkits 3.1.0.0	Cc1cc(on1)C(=O)NCC2CCOC2
CACTVS 3.385	Cc1cc(on1)C(=O)NC[CH]2CCOC2
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	Cc1cc(on1)C(=O)NC[C@@H]2CCOC2

Name:

3-methyl-N-{[(3S)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide

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).