BioLiP

PDB

BioLiP

PDB CCD ID:

G1K

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3 O6

InChI:

InChI=1S/C17H17N3O6/c21-12(9-26-10-5-2-1-3-6-10)20-8-4-7-11(20)15-18-13(17(24)25)14(22)16(23)19-15/h1-3,5-6,11,22H,4,7-9H2,(H,24,25)(H,18,19,23)/t11-/m0/s1

InChIKey:

IRLMJLDUWBLXBT-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)OCC(=O)N2CCCC2C3=NC(=C(C(=O)N3)O)C(=O)O
ACDLabs 12.01	C3(NC(C2N(C(COc1ccccc1)=O)CCC2)=NC(=C3O)C(O)=O)=O
CACTVS 3.385	OC(=O)C1=C(O)C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3
CACTVS 3.385	OC(=O)C1=C(O)C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3

Name:

5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid;
SRI-29680

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).