BioLiP

PDB

BioLiP

PDB CCD ID:

8LJ

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O2

InChI:

InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1,3-4,6H,2H2,(H,7,8)/t4-/m0/s1

InChIKey:

NXOIMAMHRHDCFR-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[C@@H]1CC=CN1
OpenEye OEToolkits 2.0.6	C1C=CN[C@@H]1C(=O)O
OpenEye OEToolkits 2.0.6	C1C=CNC1C(=O)O
ACDLabs 12.01	C(=O)(O)C1NC=CC1
CACTVS 3.385	OC(=O)[CH]1CC=CN1

Name:

(2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid

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).