BioLiP

PDB

BioLiP

PDB CCD ID:

AVG

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O3

InChI:

InChI=1S/C6H14N2O3/c7-2-4-11-3-1-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

InChIKey:

FDDYPVBIHWFLOI-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(COCCN)[C@@H](C(=O)O)N
CACTVS 3.341	NCCOCC[CH](N)C(O)=O
CACTVS 3.341	NCCOCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	C(COCCN)C(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCOCCN

Name:

2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID

DrugBank:

DB02971

ZINC:

ZINC000003581194

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).