BioLiP

PDB

BioLiP

PDB CCD ID:

A1D8X

Number of entries in BioLiP:

Chemical formula:

C10 H11 F N2 O

InChI:

InChI=1S/C10H11FN2O/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1

InChIKey:

IOHOUWIYOVWGHV-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(F)cccc1[C@H]2COC(=N2)N
CACTVS 3.385	Cc1c(F)cccc1[CH]2COC(=N2)N
OpenEye OEToolkits 2.0.7	Cc1c(cccc1F)[C@H]2COC(=N2)N
OpenEye OEToolkits 2.0.7	Cc1c(cccc1F)C2COC(=N2)N

Name:

(4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine

ChEMBL:

CHEMBL3781694

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).