BioLiP

PDB

BioLiP

PDB CCD ID:

VFX

Number of entries in BioLiP:

Chemical formula:

C17 H27 N O2

InChI:

InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m0/s1

InChIKey:

PNVNVHUZROJLTJ-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1)[C@H](CN(C)C)C2(O)CCCCC2
OpenEye OEToolkits 2.0.7	CN(C)C[C@@H](c1ccc(cc1)OC)C2(CCCCC2)O
ACDLabs 12.01	OC1(CCCCC1)C(CN(C)C)c1ccc(OC)cc1
OpenEye OEToolkits 2.0.7	CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O
CACTVS 3.385	COc1ccc(cc1)[CH](CN(C)C)C2(O)CCCCC2

Name:

1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

ChEMBL:

CHEMBL251694

ZINC:

ZINC000000896698

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).