BioLiP

PDB

BioLiP

PDB CCD ID:

QDS

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 O4

InChI:

InChI=1S/C12H11N3O4/c16-6-10(12(18)19)15-11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/t10-/m1/s1

InChIKey:

LGAAZSQTJQTRJH-SNVBAGLBSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO
CACTVS 3.352	OC[C@@H](NC(=O)c1cnc2ccccc2n1)C(O)=O
OpenEye OEToolkits 1.6.1	c1ccc2c(c1)ncc(n2)C(=O)NC(CO)C(=O)O
OpenEye OEToolkits 1.6.1	c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O
CACTVS 3.352	OC[CH](NC(=O)c1cnc2ccccc2n1)C(O)=O

Name:

N-(quinoxalin-2-ylcarbonyl)-D-serine

ZINC:

ZINC000001626850

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).