BioLiP

PDB

BioLiP

PDB CCD ID:

HAV

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O2

InChI:

InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1

InChIKey:

USSBBYRBOWZYSB-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)[CH](N)C(=O)NO
OpenEye OEToolkits 1.5.0	CC(C)[C@H](C(=O)NO)N
CACTVS 3.341	CC(C)[C@@H](N)C(=O)NO
OpenEye OEToolkits 1.5.0	CC(C)C(C(=O)NO)N
ACDLabs 10.04	O=C(NO)C(N)C(C)C

Name:

HYDROXYAMINOVALINE

DrugBank:

DB02697

ZINC:

ZINC000003997609

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).