BioLiP

PDB

BioLiP

PDB CCD ID:

IPN

Number of entries in BioLiP:

Chemical formula:

C10 H14 I N4 O5

InChI:

InChI=1S/C10H13IN4O5/c11-6-3-15(10(20)13-9(6)19)4-7(16)14(2-1-12)5-8(17)18/h3H,1-2,4-5,12H2,(H,17,18)(H,13,19,20)/p+1

InChIKey:

OQZZDVVRGNVUJR-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I
CACTVS 3.341	[NH3+]CCN(CC(O)=O)C(=O)CN1C=C(I)C(=O)NC1=O
ACDLabs 10.04	O=C(N(CC(=O)O)CC[NH3+])CN1C=C(I)C(=O)NC1=O

Name:

2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-5-IODOURACIL

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).