BioLiP

PDB

BioLiP

PDB CCD ID:

HZC

Number of entries in BioLiP:

Chemical formula:

C11 H23 N

InChI:

InChI=1S/C11H23N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-7,12H2,1-3H3/t9-,10-,11+/m1/s1

InChIKey:

BMNCNNYYLCTHDB-MXWKQRLJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)[CH]1CC[CH](C)C[CH]1CN
CACTVS 3.385	CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CN
OpenEye OEToolkits 2.0.7	CC1CCC(C(C1)CN)C(C)C
OpenEye OEToolkits 2.0.7	C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C

Name:

[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine

ZINC:

ZINC000140945489

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).