BioLiP

PDB

BioLiP

PDB CCD ID:

SDZ

Number of entries in BioLiP:

Chemical formula:

C24 H33 N3 O2

InChI:

InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1

InChIKey:

BZJHCQBNFUNZPJ-QFIPXVFZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O
ACDLabs 10.04	OC(CN2CCN(c1ncccc1)CC2)COc3ccc(cc3)C4CCCCC4
OpenEye OEToolkits 1.5.0	c1ccnc(c1)N2CCN(CC2)CC(COc3ccc(cc3)C4CCCCC4)O
CACTVS 3.341	O[CH](COc1ccc(cc1)C2CCCCC2)CN3CCN(CC3)c4ccccn4
CACTVS 3.341	O[C@H](COc1ccc(cc1)C2CCCCC2)CN3CCN(CC3)c4ccccn4

Name:

1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE

DrugBank:

DB08543

ZINC:

ZINC000031356524

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).