BioLiP

PDB

BioLiP

PDB CCD ID:

VIX

Number of entries in BioLiP:

Chemical formula:

C12 H14 Cl N O3

InChI:

InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1

InChIKey:

JPMCHPNNLFZQMS-LLVKDONJSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1
CACTVS 3.385	OC(=O)[CH](N1CCOCC1)c2ccc(Cl)cc2
CACTVS 3.385	OC(=O)[C@H](N1CCOCC1)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(C(=O)O)N2CCOCC2)Cl
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@H](C(=O)O)N2CCOCC2)Cl

Name:

(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid

ZINC:

ZINC000004384232

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).