BioLiP

PDB

BioLiP

PDB CCD ID:

193

Number of entries in BioLiP:

Chemical formula:

C7 H15 N3 O3

InChI:

InChI=1S/C7H15N3O3/c8-3-1-6(11)10-4-2-5(9)7(12)13/h5H,1-4,8-9H2,(H,10,11)(H,12,13)/t5-/m0/s1

InChIKey:

ZTTQHTAQUGLWNQ-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CNC(=O)CCN)C(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCNC(=O)CCN
OpenEye OEToolkits 1.5.0	C(CNC(=O)CCN)[C@@H](C(=O)O)N
CACTVS 3.341	NCCC(=O)NCC[CH](N)C(O)=O
CACTVS 3.341	NCCC(=O)NCC[C@H](N)C(O)=O

Name:

(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACID

DrugBank:

DB03236

ZINC:

ZINC000012503315

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).