BioLiP

PDB

BioLiP

PDB CCD ID:

XEJ

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O

InChI:

InChI=1S/C4H10N2O/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1

InChIKey:

OTVXVVYHNZUDSN-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(CC(=O)N)N
OpenEye OEToolkits 2.0.7	C[C@H](CC(=O)N)N
CACTVS 3.385	C[CH](N)CC(N)=O
ACDLabs 12.01	CC(N)CC(N)=O
CACTVS 3.385	C[C@@H](N)CC(N)=O

Name:

(3R)-3-aminobutanamide

ZINC:

ZINC000034566495

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).