BioLiP

PDB

BioLiP

PDB CCD ID:

CLC

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O5

InChI:

InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1

InChIKey:

PIVQDUYOEIAFDM-GHMZBOCLSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	[O-][N+](=O)c1ccc(cc1)C(O)C(NC(=O)C)CO
OpenEye OEToolkits 1.5.0	CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O
CACTVS 3.341	CC(=O)N[CH](CO)[CH](O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0	CC(=O)NC(CO)C(c1ccc(cc1)[N+](=O)[O-])O
CACTVS 3.341	CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O

Name:

N-ACETYL-P-NITROPHENYLSERINOL

DrugBank:

DB02608

ZINC:

ZINC000000174039

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).