BioLiP

PDB

BioLiP

PDB CCD ID:

MYN

Number of entries in BioLiP:

Chemical formula:

C6 H12 N4 O2

InChI:

InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1

InChIKey:

XHNWDEHKMJLKGG-DMTCNVIQSA-N

SMILES:

Software	SMILES
CACTVS 3.352	N[C@@H]([C@H]1CCNC(=N1)N)C(O)=O
CACTVS 3.352	N[CH]([CH]1CCNC(=N1)N)C(O)=O
OpenEye OEToolkits 1.7.0	C1CNC(=NC1C(C(=O)O)N)N
OpenEye OEToolkits 1.7.0	C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N

Name:

(2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic 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).