BioLiP

PDB

BioLiP

PDB CCD ID:

LHC

Number of entries in BioLiP:

Chemical formula:

C8 H12 N4 O3

InChI:

InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1

InChIKey:

FKWFMIJKLRYFAG-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)CCC(C(=O)O)N
CACTVS 3.341	N[CH](CCN1C=CC(=NC1=O)N)C(O)=O
CACTVS 3.341	N[C@@H](CCN1C=CC(=NC1=O)N)C(O)=O
ACDLabs 10.04	O=C1N=C(C=CN1CCC(C(=O)O)N)N
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N

Name:

(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid

ZINC:

ZINC000058639014

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).