BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3B

Number of entries in BioLiP:

Chemical formula:

C7 H15 N

InChI:

InChI=1S/C7H15N/c1-6-4-7(2,3)8-5-6/h6,8H,4-5H2,1-3H3/t6-/m1/s1

InChIKey:

AJMDMNYTTSGFEL-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CC(NC1)(C)C
OpenEye OEToolkits 2.0.7	C[C@@H]1CC(NC1)(C)C
CACTVS 3.385	C[CH]1CNC(C)(C)C1
CACTVS 3.385	C[C@H]1CNC(C)(C)C1

Name:

(4~{R})-2,2,4-trimethylpyrrolidine

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).