BioLiP

PDB

BioLiP

PDB CCD ID:

NOU

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O2

InChI:

InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1

InChIKey:

QJIQHEBKRNDRHG-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCNc1ccccn1)C(O)=O
CACTVS 3.385	N[C@@H](CCNc1ccccn1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NCCC(C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NCC[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCNc1ccccn1

Name:

(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic 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).