BioLiP

PDB

BioLiP

PDB CCD ID:

LOW

Number of entries in BioLiP:

Chemical formula:

C10 H17 N O

InChI:

InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7-,8+,9+,10-

InChIKey:

DWPIPTNBOVJYAD-FIRGSJFUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N
CACTVS 3.385	NC12C[CH]3C[CH](C1)CC(O)(C3)C2
OpenEye OEToolkits 2.0.7	C1C2CC3(CC1CC(C2)(C3)O)N
CACTVS 3.385	NC12C[C@@H]3C[C@H](C1)CC(O)(C3)C2

Name:

(5~{S},7~{R})-3-azanyladamantan-1-ol

ZINC:

ZINC000100009324

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).