BioLiP

PDB

BioLiP

PDB CCD ID:

CPN

Number of entries in BioLiP:

Chemical formula:

C10 H16 N5 O4

InChI:

InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1

InChIKey:

MFPUAOSBORLXTD-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O
ACDLabs 12.01	O=C(N(CC(=O)O)CC[NH3+])CN1C=CC(=NC1=O)N
CACTVS 3.370	NC1=NC(=O)N(CC(=O)N(CC[NH3+])CC(O)=O)C=C1

Name:

2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE

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).