BioLiP

PDB

BioLiP

PDB CCD ID:

9AE

Number of entries in BioLiP:

Chemical formula:

C11 H25 N

InChI:

InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1

InChIKey:

NKGYBXHAQAKSSG-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)CCC[C@H](C)NC(C)C
OpenEye OEToolkits 2.0.6	C[C@@H](CCCC(C)C)NC(C)C
CACTVS 3.385	CC(C)CCC[CH](C)NC(C)C
OpenEye OEToolkits 2.0.6	CC(C)CCCC(C)NC(C)C

Name:

(2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine

ZINC:

ZINC000002020019

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).