BioLiP

PDB

BioLiP

PDB CCD ID:

00D

Number of entries in BioLiP:

Chemical formula:

C6 H15 N

InChI:

InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m1/s1

InChIKey:

DXSUORGKJZADET-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[C@@H](N)C(C)(C)C
OpenEye OEToolkits 1.7.0	C[C@H](C(C)(C)C)N
ACDLabs 12.01	NC(C)C(C)(C)C
OpenEye OEToolkits 1.7.0	CC(C(C)(C)C)N
CACTVS 3.370	C[CH](N)C(C)(C)C

Name:

(2R)-3,3-dimethylbutan-2-amine

ZINC:

ZINC000002166835

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).