BioLiP

PDB

BioLiP

PDB CCD ID:

AVN

Number of entries in BioLiP:

Chemical formula:

C5 H7 Cl N2 O3

InChI:

InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1

InChIKey:

QAWIHIJWNYOLBE-OKKQSCSOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(ON=C1Cl)C(C(=O)O)N
CACTVS 3.341	N[C@@H]([C@@H]1CC(=NO1)Cl)C(O)=O
OpenEye OEToolkits 1.5.0	C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N
CACTVS 3.341	N[CH]([CH]1CC(=NO1)Cl)C(O)=O
ACDLabs 10.04	ClC1=NOC(C(C(=O)O)N)C1

Name:

(2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID;
ACIVICIN

ChEMBL:

CHEMBL1231101

ZINC:

ZINC000003871381

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).