BioLiP

PDB

BioLiP

PDB CCD ID:

IP4

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O

InChI:

InChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3

InChIKey:

YARDEGUIPATLSG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N(C)C(C)(C)CC1
OpenEye OEToolkits 1.5.0	CC1(CCC(=O)N1C)C
CACTVS 3.341	CN1C(=O)CCC1(C)C

Name:

1-METHYL-2-OXY-5,5-DIMETHYL PYRROLIDINE

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).