BioLiP

PDB

BioLiP

PDB CCD ID:

BG5

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O3

InChI:

InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1

InChIKey:

PEFGUPQPFCDBPY-UOWFLXDJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO
OpenEye OEToolkits 1.5.0	CC1CC(NC1C(=O)O)NO
CACTVS 3.341	C[C@@H]1C[C@@H](NO)N[C@H]1C(O)=O
CACTVS 3.341	C[CH]1C[CH](NO)N[CH]1C(O)=O
ACDLabs 10.04	O=C(O)C1NC(NO)CC1C

Name:

5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID

DrugBank:

DB02298

ZINC:

ZINC000058626722

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).