Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGhrelin O-acyltransferase
LigandBDBM80086
Substrate/Competitorn/a
Meas. Tech.GOAT Activity Assay
pH7±n/a
Temperature298.15±n/a K
IC50 3.8e+4± 6e+3 nM
Commentsextracted
Citation McGovern-Gooch, KRMahajani, NSGaragozzo, ASchramm, AJHannah, LGSieburg, MAChisholm, JDHougland, JL Synthetic Triterpenoid Inhibition of Human Ghrelin O-Acyltransferase: The Involvement of a Functionally Required Cysteine Provides Mechanistic Insight into Ghrelin Acylation. Biochemistry56:919-931 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Ghrelin O-acyltransferase
Name:Ghrelin O-acyltransferase
Synonyms:GOAT | Ghrelin O-acyltransferase (GOAT) | MBOA4_HUMAN | MBOAT4 | Membrane-bound O-acyltransferase domain-containing protein 4 | O-acyltransferase domain-containing protein 4 | OACT4
Type:Enzyme
Mol. Mass.:49733.10
Organism:Homo sapiens (Human)
Description:Q96T53
Residue:435
Sequence:
MEWLWLFFLHPISFYQGAAFPFALLFNYLCIMDSFSTRARYLFLLTGGGALAVAAMGSYA
VLVFTPAVCAVALLCSLAPQQVHRWTFCFQMSWQTLCHLGLHYTEYYLHEPPSVRFCITL
SSLMLLTQRVTSLSLDICEGKVKAASGGFRSRSSLSEHVCKALPYFSYLLFFPALLGGSL
CSFQRFQARVQGSSALHPRHSFWALSWRGLQILGLECLNVAVSRVVDAGAGLTDCQQFEC
IYVVWTTAGLFKLTYYSHWILDDSLLHAAGFGPELGQSPGEEGYVPDADIWTLERTHRIS
VFSRKWNQSTARWLRRLVFQHSRAWPLLQTFAFSAWWHGLHPGQVFGFVCWAVMVEADYL
IHSFANEFIRSWPMRLFYRTLTWAHTQLIIAYIMLAVEVRSLSSLWLLCNSYNSVFPMVY
CILLLLLAKRKHKCN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM80086
n/a
NameBDBM80086
Synonyms:(4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-3,13-diketo-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-[1-imidazolyl(oxo)methyl]-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile | (4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-imidazol-1-ylcarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-3,13-bis(oxidanylidene)-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile | CDDO-Im, 1 | MLS002702501 | SMR001566062 | cid_9958995
TypeSmall organic molecule
Emp. Form.C34H43N3O3
Mol. Mass.541.7235
SMILESCC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(=O)n1ccnc1 |t:17,21|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: