BioLiP

PDB

BioLiP

PDB CCD ID:

HA7

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 O4

InChI:

InChI=1S/C7H8N2O4/c10-6-3-1-2-8-4(7(11)12)5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)/t4-/m0/s1

InChIKey:

YRSIGIYXZNQZCI-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[C@H]1NCCc2c(O)noc12
OpenEye OEToolkits 1.7.5	C1CN[C@@H](c2c1c(no2)O)C(=O)O
OpenEye OEToolkits 1.7.5	C1CNC(c2c1c(no2)O)C(=O)O
CACTVS 3.385	OC(=O)[CH]1NCCc2c(O)noc12

Name:

(7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid

ChEMBL:

CHEMBL154535

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).