BioLiP

PDB

BioLiP

PDB CCD ID:

M70

Number of entries in BioLiP:

Chemical formula:

C9 H18 N4 O2

InChI:

InChI=1S/C9H18N4O2/c10-7(8(14)15)5-6-1-3-13(4-2-6)9(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,14,15)/t7-/m0/s1

InChIKey:

CCTXTGQVXGVJLD-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CN(CCC1CC(C(=O)O)N)C(=N)N
CACTVS 3.385	N[CH](CC1CCN(CC1)C(N)=N)C(O)=O
CACTVS 3.385	N[C@@H](CC1CCN(CC1)C(N)=N)C(O)=O
OpenEye OEToolkits 2.0.7	[H]/N=C(/N)\N1CCC(CC1)C[C@@H](C(=O)O)N

Name:

(2S)-2-azanyl-3-(1-carbamimidoylpiperidin-4-yl)propanoic 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).