BioLiP

PDB

BioLiP

PDB CCD ID:

OWZ

Number of entries in BioLiP:

Chemical formula:

C11 H14 Cl N O

InChI:

InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m0/s1

InChIKey:

MCDIIVJZXXFTDP-KWQFWETISA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[C@H]1CO[C@@H](CN1)c2ccccc2Cl
OpenEye OEToolkits 2.0.7	CC1COC(CN1)c2ccccc2Cl
CACTVS 3.385	C[CH]1CO[CH](CN1)c2ccccc2Cl

Name:

(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine

ZINC:

ZINC000032012607

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).