BioLiP

PDB

BioLiP

PDB CCD ID:

G2Z

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O2

InChI:

InChI=1S/C4H10N2O2/c1-3(5)2-6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1

InChIKey:

RHDKRUOESWZLQS-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(CNC(=O)O)N
OpenEye OEToolkits 2.0.6	C[C@@H](CNC(=O)O)N
CACTVS 3.385	C[CH](N)CNC(O)=O
CACTVS 3.385	C[C@H](N)CNC(O)=O

Name:

[(2~{S})-2-azanylpropyl]carbamic 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).