BioLiP

PDB

BioLiP

PDB CCD ID:

04X

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O3

InChI:

InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1

InChIKey:

IIQVKGCHPWVHMA-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1COCCN1CC2=CCC(NC2)C(=O)O
CACTVS 3.385	OC(=O)[CH]1CC=C(CN1)CN2CCOCC2
OpenEye OEToolkits 1.9.2	C1COCCN1CC2=CC[C@H](NC2)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1CC=C(CN1)CN2CCOCC2
ACDLabs 12.01	O=C(O)C1NCC(=CC1)CN2CCOCC2

Name:

(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid

ZINC:

ZINC000098207766

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).