BioLiP

PDB

BioLiP

PDB CCD ID:

W2J

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O

InChI:

InChI=1S/C7H15NO/c1-6-2-7(5-9)4-8-3-6/h6-9H,2-5H2,1H3/t6-,7-/m1/s1

InChIKey:

SSKKCWRWVKPDIA-RNFRBKRXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CC(CNC1)CO
OpenEye OEToolkits 2.0.7	C[C@@H]1C[C@H](CNC1)CO
CACTVS 3.385	C[CH]1CNC[CH](CO)C1
CACTVS 3.385	C[C@H]1CNC[C@H](CO)C1
ACDLabs 12.01	C1(CC(CO)CNC1)C

Name:

[(3R,5R)-5-methylpiperidin-3-yl]methanol

ZINC:

ZINC000107114818

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).