BioLiP

PDB

BioLiP

PDB CCD ID:

SVJ

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2

InChI:

InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-

InChIKey:

HJGMRAKQWLKWMH-RNLVFQAGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1[C@@H]2CC[C@H]1CC(C2)N
OpenEye OEToolkits 2.0.6	CN1C2CCC1CC(C2)N
CACTVS 3.385	CN1[CH]2CC[CH]1C[CH](N)C2
CACTVS 3.385	CN1[C@H]2CC[C@@H]1C[C@H](N)C2

Name:

(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

ChEMBL:

CHEMBL3084978

ZINC:

ZINC000100013524

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).