BioLiP

PDB

BioLiP

PDB CCD ID:

UDS

Number of entries in BioLiP:

Chemical formula:

C13 H12 N2 O5

InChI:

InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1

InChIKey:

BTUDZNSKPNNMTD-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.352	OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O
OpenEye OEToolkits 1.6.1	c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O
ACDLabs 10.04	O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO
OpenEye OEToolkits 1.6.1	c1ccc2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O
CACTVS 3.352	OC[C@@H](NC(=O)c1nc2ccccc2cc1O)C(O)=O

Name:

N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE

ZINC:

ZINC000058649713

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).