BioLiP

PDB

BioLiP

PDB CCD ID:

2TQ

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O3

InChI:

InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1

InChIKey:

RJPDELAUUYAFTQ-WHFBIAKZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[C@@H]1CC[C@H]2CC(=O)N12
OpenEye OEToolkits 1.7.6	C1CC(N2C1CC2=O)C(=O)O
OpenEye OEToolkits 1.7.6	C1C[C@H](N2[C@@H]1CC2=O)C(=O)O
CACTVS 3.385	OC(=O)[CH]1CC[CH]2CC(=O)N12
ACDLabs 12.01	O=C(O)C2N1C(=O)CC1CC2

Name:

(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ZINC:

ZINC000014619009

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).