BioLiP

PDB

BioLiP

PDB CCD ID:

A1BMR

Number of entries in BioLiP:

Chemical formula:

C13 H19 N O

InChI:

InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3

InChIKey:

ZFJGRVQFTNBLRP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C[C@H]1[C@@H](CCCN1Cc2ccccc2)O
CACTVS 3.385	C[CH]1[CH](O)CCCN1Cc2ccccc2
ACDLabs 14.52	CC1C(O)CCCN1Cc1ccccc1
CACTVS 3.385	C[C@H]1[C@H](O)CCCN1Cc2ccccc2
OpenEye OEToolkits 3.1.0.0	CC1C(CCCN1Cc2ccccc2)O

Name:

(2S,3R)-1-benzyl-2-methylpiperidin-3-ol

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).