BioLiP

PDB

BioLiP

PDB CCD ID:

LPG

Number of entries in BioLiP:

Chemical formula:

C4 H5 N O2

InChI:

InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1

InChIKey:

DSUAJFIEKRKPEE-VKHMYHEASA-N

SMILES:

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

Name:

(2S)-2-aminobut-3-ynoic acid;
2-AMINO-BUT-3-YNOIC ACID;
2-amino-3-butynoic acid

DrugBank:

DB04217

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).