BioLiP

PDB

BioLiP

PDB CCD ID:

BG4

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O3

InChI:

InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1

InChIKey:

PGYJBAGGGAUHGV-HSUXUTPPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1CC(NC1C(=O)O)N(C)O
OpenEye OEToolkits 1.5.0	C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O
ACDLabs 10.04	O=C(O)C1NC(N(O)C)CC1C
CACTVS 3.341	C[CH]1C[CH](N[CH]1C(O)=O)N(C)O
CACTVS 3.341	C[C@@H]1C[C@H](N[C@H]1C(O)=O)N(C)O

Name:

5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID

DrugBank:

DB01855

ZINC:

ZINC000058626720

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).