BioLiP

PDB

BioLiP

PDB CCD ID:

JJT

Number of entries in BioLiP:

Chemical formula:

C12 H20 N4 O3

InChI:

InChI=1S/C12H20N4O3/c13-8-1-2-10(16(7-8)12(18)19)11(17)15-9-3-5-14-6-4-9/h9-10,13-14H,1-7H2,(H,15,17)(H,18,19)/t10-/m0/s1

InChIKey:

ANYQJLWLEZXFBO-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O
CACTVS 3.385	OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2
CACTVS 3.385	OC(=O)N1CC(=N)CC[C@H]1C(=O)NC2CCNCC2
OpenEye OEToolkits 2.0.7	C1CC(=N)CN(C1C(=O)NC2CCNCC2)C(=O)O

Name:

(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid

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).