BioLiP

PDB

BioLiP

PDB CCD ID:

2L4

Number of entries in BioLiP:

Chemical formula:

C11 H16 N4 O7

InChI:

InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1

InChIKey:

PUEQUELBQOQOOV-GJQDMXJLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC[CH](O)[CH](O)[CH](O)CNC1=C(N=CC=O)C(=O)NC(=O)N1
CACTVS 3.370	OC[C@@H](O)[C@@H](O)[C@@H](O)CNC1=C(N=CC=O)C(=O)NC(=O)N1
OpenEye OEToolkits 1.7.6	C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=CC=O
ACDLabs 12.01	O=C1NC(NCC(O)C(O)C(O)CO)=C(\N=C\C=O)C(=O)N1
OpenEye OEToolkits 1.7.6	C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O

Name:

1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol;
5-(2-oxoethylideneamino)-6-D-ribitylaminouracil

ZINC:

ZINC000097654292

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).