BioLiP

PDB

BioLiP

PDB CCD ID:

XGY

Number of entries in BioLiP:

Chemical formula:

C4 H11 N3

InChI:

InChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1

InChIKey:

VFALPSXHULBHMC-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C[C@H](NC1)N
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CN1CC(NC1)N
CACTVS 3.385	CN1CN[C@H](N)C1
CACTVS 3.385	CN1CN[CH](N)C1

Name:

(4S)-1-methylimidazolidin-4-amine

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).