BioLiP

PDB

BioLiP

PDB CCD ID:

A1LWL

Number of entries in BioLiP:

Chemical formula:

C17 H25 N O

InChI:

InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1

InChIKey:

YSSBJODGIYRAMI-IRXDYDNUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1CCCC[CH]1N2CCC(CC2)c3ccccc3
CACTVS 3.385	O[C@H]1CCCC[C@@H]1N2CCC(CC2)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2CCN(CC2)C3CCCCC3O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2CCN(CC2)[C@H]3CCCC[C@@H]3O

Name:

vesamicol;
(1~{S},2~{S})-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;
2-(4-Phenylpiperidino)cyclohexanol

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).