BioLiP

PDB

BioLiP

PDB CCD ID:

3A0

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O2

InChI:

InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1

InChIKey:

UQHCHLWYGMSPJC-WDSKDSINSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CCN[CH](C1)C(O)=O
OpenEye OEToolkits 1.9.2	C[C@H]1CCN[C@@H](C1)C(=O)O
CACTVS 3.385	C[C@H]1CCN[C@@H](C1)C(O)=O
ACDLabs 12.01	O=C(O)C1NCCC(C)C1
OpenEye OEToolkits 1.9.2	CC1CCNC(C1)C(=O)O

Name:

(2S,4S)-4-methylpiperidine-2-carboxylic acid

ZINC:

ZINC000002512944

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).