BioLiP

PDB

BioLiP

PDB CCD ID:

A1EVP

Number of entries in BioLiP:

Chemical formula:

C28 H34 F N3 O5

InChI:

InChI=1S/C28H34FN3O5/c1-3-35-23-13-19(14-24(36-4-2)26(23)20-5-7-22(29)8-6-20)16-31-17-28(18-31)15-25(30-37-28)32-11-9-21(10-12-32)27(33)34/h5-8,13-14,21H,3-4,9-12,15-18H2,1-2H3,(H,33,34)

InChIKey:

UQRAIIGEZLINAT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOc1cc(CN2CC3(C2)CC(=NO3)N4CCC(CC4)C(O)=O)cc(OCC)c1c5ccc(F)cc5
OpenEye OEToolkits 2.0.7	CCOc1cc(cc(c1c2ccc(cc2)F)OCC)CN3CC4(C3)CC(=NO4)N5CCC(CC5)C(=O)O

Name:

1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid;
SSTR5 antagonist 1

ChEMBL:

CHEMBL4063587

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).