BioLiP

PDB

BioLiP

PDB CCD ID:

JKH

Number of entries in BioLiP:

Chemical formula:

C5 H11 N2 O2

InChI:

InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/p+1/t3-,4-/m0/s1

InChIKey:

SHINASQYHDCLEU-IMJSIDKUSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(CNC1C(=O)O)[NH3+]
CACTVS 3.385	[NH3+][C@@H]1CN[C@@H](C1)C(O)=O
OpenEye OEToolkits 2.0.7	C1[C@@H](CN[C@@H]1C(=O)O)[NH3+]
CACTVS 3.385	[NH3+][CH]1CN[CH](C1)C(O)=O

Name:

4-amino-Proline

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).