BioLiP

PDB

BioLiP

PDB CCD ID:

724

Number of entries in BioLiP:

Chemical formula:

C13 H14 N4 O4

InChI:

InChI=1S/C13H14N4O4/c1-13(11(19)14-12(20)15-13)6-17-10(18)8-5-7(21-2)3-4-9(8)16-17/h3-5,16H,6H2,1-2H3,(H2,14,15,19,20)/t13-/m1/s1

InChIKey:

PIEMRKVLYXWKFP-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC
OpenEye OEToolkits 1.7.0	C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC
CACTVS 3.352	COc1ccc2NN(C[C]3(C)NC(=O)NC3=O)C(=O)c2c1
CACTVS 3.352	COc1ccc2NN(C[C@@]3(C)NC(=O)NC3=O)C(=O)c2c1

Name:

(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione;
5-[(1,3-DIHYDRO-5-METHOXY-3-OXO-2H-INDAZOL-2-YL)METHYL]-5-METHYL-2,4-IMIDAZOLIDINEDIONE

ZINC:

ZINC000034639608

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).