PDB code 3E33
Identical Ligands in BindingDB
Found 2 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(350/377 = 93%)† (Homo sapiens (Human)) | BDBM31425
(ethylenediamine scaffold, 7)Show SMILES Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1 Show InChI InChI=1S/C28H29N5O2S/c1-23-8-6-7-11-28(23)36(34,35)33(20-25-9-4-3-5-10-25)17-16-32(21-27-19-30-22-31(27)2)26-14-12-24(18-29)13-15-26/h3-15,19,22H,16-17,20-21H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.7 | 30 |
Duke University Medical Center
| Assay Description In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ra... |
Chem Biol 16: 181-92 (2009)
Article DOI: 10.1016/j.chembiol.2009.01.014 BindingDB Entry DOI: 10.7270/Q22F7KR8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(350/377 = 93%)† (Homo sapiens (Human)) | BDBM50366477
(CHEMBL69330)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8][P@]([#8])(=O)[#8]P([#8])([#8])=O |r| Show InChI InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Binding affinity to FTase (unknown origin) |
Medchemcomm 4: 476-492 (2013)
Article DOI: 10.1039/c2md20299a BindingDB Entry DOI: 10.7270/Q2HD7ZN5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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Search BindingMOAD for More Affinity Data:
* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output