BioLiP

PDB

BioLiP

PDB CCD ID:

IDH

Number of entries in BioLiP:

Chemical formula:

C4 H5 I N2 O2

InChI:

InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1

InChIKey:

YGKCTZPSAOUUMT-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(C(=O)NC(=O)N1)I
CACTVS 3.341	I[C@H]1CNC(=O)NC1=O
OpenEye OEToolkits 1.5.0	C1[C@@H](C(=O)NC(=O)N1)I
CACTVS 3.341	I[CH]1CNC(=O)NC1=O
ACDLabs 10.04	O=C1NC(=O)NCC1I

Name:

(5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE

DrugBank:

DB02303

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).