BioLiP

PDB

BioLiP

PDB CCD ID:

O4Y

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O3

InChI:

InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m1/s1

InChIKey:

AOIOGRLXASIYJK-SSDOTTSWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](N1C=Nc2ccccc2C1=O)C(O)=O
ACDLabs 12.01	CC(C(O)=O)N2C=Nc1c(cccc1)C2=O
CACTVS 3.385	C[CH](N1C=Nc2ccccc2C1=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C(=O)O)N1C=Nc2ccccc2C1=O
OpenEye OEToolkits 2.0.7	C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O

Name:

(2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid

ZINC:

ZINC000000253691

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).