BioLiP

PDB

BioLiP

PDB CCD ID:

JF0

Number of entries in BioLiP:

Chemical formula:

C26 H29 N3 O2

InChI:

InChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3

InChIKey:

CVCFJWDRTKFPMW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4
ACDLabs 12.01	O=C2N(c1ccncc1)CCN2CCCCCOc4ccc(c3cccc(c3)C)cc4
CACTVS 3.385	Cc1cccc(c1)c2ccc(OCCCCCN3CCN(C3=O)c4ccncc4)cc2

Name:

1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(

ZINC:

ZINC000098209043

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).