BioLiP

PDB

BioLiP

PDB CCD ID:

RAZ

Number of entries in BioLiP:

Chemical formula:

C14 H26 N

InChI:

InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1

InChIKey:

GGPFTSMJRHEOJG-CQSZACIVSA-O

SMILES:

Software	SMILES
CACTVS 3.385	C[NH+](CCC=C(C)C)[C@H]1CCC(=CC1)C
OpenEye OEToolkits 1.7.5	CC1=CCC(CC1)[NH+](C)CCC=C(C)C
OpenEye OEToolkits 1.7.5	CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C
ACDLabs 10.04	C1=C(C)CCC([NH+](C)CC\C=C(/C)C)C1
CACTVS 3.385	C[NH+](CCC=C(C)C)[CH]1CCC(=CC1)C

Name:

(1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM;
(4R)-7-AZABISABOLENE;
R-AZABISABOLENE

DrugBank:

DB03985

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).