BioLiP

PDB

BioLiP

PDB CCD ID:

DOR

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O4

InChI:

InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1

InChIKey:

UFIVEPVSAGBUSI-REOHCLBHSA-N

SMILES:

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

Name:

(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID;
DIHYDROOROTIC ACID

DrugBank:

DB02129

ZINC:

ZINC000003869850

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).