BioLiP

PDB

BioLiP

PDB CCD ID:

BGX

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O2

InChI:

InChI=1S/C6H9NO2/c1-4-2-3-7-5(4)6(8)9/h2-5,7H,1H3,(H,8,9)/t4-,5-/m1/s1

InChIKey:

ZVJPMCWYCLEWPG-RFZPGFLSSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C@@H]1C=CN[C@H]1C(O)=O
CACTVS 3.341	C[CH]1C=CN[CH]1C(O)=O
ACDLabs 10.04	O=C(O)C1NC=CC1C
OpenEye OEToolkits 1.5.0	C[C@@H]1C=CN[C@H]1C(=O)O
OpenEye OEToolkits 1.5.0	CC1C=CNC1C(=O)O

Name:

4-METHYL-PYRROLINE-5-CARBOXYLIC ACID

DrugBank:

DB03930

ZINC:

ZINC000012504035

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).