BioLiP

PDB

BioLiP

PDB CCD ID:

9PR

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O

InChI:

InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1

InChIKey:

URHXQSTYLJNJMT-YFKPBYRVSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NC)C1NCCC1
OpenEye OEToolkits 1.7.0	CNC(=O)C1CCCN1
CACTVS 3.370	CNC(=O)[CH]1CCCN1
CACTVS 3.370 OpenEye OEToolkits 1.7.0	CNC(=O)[C@@H]1CCCN1

Name:

N-methyl-L-prolinamide

ChEMBL:

CHEMBL1230685

ZINC:

ZINC000019413552

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).