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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50117195
Substrate
n/a
Meas. Tech.
ChEMBL_1513967 (CHEMBL3616153)
IC50
>500±n/a nM
Citation
 Pagire, SH; Pagire, HS; Lee, GB; Han, SJ; Kwak, HJ; Kim, JY; Kim, KY; Rhee, SD; Ryu, JI; Song, JS; Bae, MA; Park, MJ; Kim, D; Lee, DH; Ahn, JH Discovery and optimization of adamantane carboxylic acid derivatives as potent diacylglycerol acyltransferase 1 inhibitors for the potential treatment of obesity and diabetes. Eur J Med Chem 101:716-35 (2015) [PubMed]  Article 
Target
Name:
Diacylglycerol O-acyltransferase 1
Synonyms:
ACAT-related gene product 1 | AGRP1 | Acyl coA-diacylglycerol acyl transferase 1 (DGAT1) | DGAT | DGAT1 | DGAT1_HUMAN | Diacylglycerol Acyltransferase (DGAT1) | Diacylglycerol O-acyltransferase 1 | Diacylglycerol O-acyltransferase 1 (DGAT1) | Diglyceride acyltransferase
Type:
Protein
Mol. Mass.:
55297.82
Organism:
Homo sapiens (Human)
Description:
O75907
Residue:
488
Sequence:
MGDRGSSRRRRTGSRPSSHGGGGPAAAEEEVRDAAAGPDVGAAGDAPAPAPNKDGDAGVGSGHWELRCHRLQDSLFSSDSGFSNYRGILNWCVVMLILSNARLFLENLIKYGILVDPIQVVSLFLKDPYSWPAPCLVIAANVFAVAAFQVEKRLAVGALTEQAGLLLHVANLATILCFPAAVVLLVESITPVGSLLALMAHTILFLKLFSYRDVNSWCRRARAKAASAGKKASSAAAPHTVSYPDNLTYRDLYYFLFAPTLCYELNFPRSPRIRKRFLLRRILEMLFFTQLQVGLIQQWMVPTIQNSMKPFKDMDYSRIIERLLKLAVPNHLIWLIFFYWLFHSCLNAVAELMQFGDREFYRDWWNSESVTYFWQNWNIPVHKWCIRHFYKPMLRRGSSKWMARTGVFLASAFFHEYLVSVPLRMFRLWAFTGMMAQIPLAWFVGRFFQGNYGNAAVWLSLIIGQPIAVLMYVHDYYVLNYEAPAAEA
  
Inhibitor
Name:
BDBM50117195
Synonyms:
CHEMBL3613353
Type:
Small organic molecule
Emp. Form.:
C33H33ClN2O5
Mol. Mass.:
573.079
SMILES:
OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1Cl)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:5:40:8.7.9,6:7:4.5.39:40,THB:9:7:4:39.38.40,9:38:4:8.6.7,10:9:4.5.39:40,(3.59,2.27,;3.07,1.15,;3.78,.15,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.1,1.13,;-10.07,.37,;-9.32,2.66,;-10.75,3.24,;-10.96,4.76,;-12.39,5.34,;-12.61,6.87,;-11.63,7.62,;-14.03,7.44,;-14.25,8.97,;-15.68,9.54,;-16.89,8.59,;-16.67,7.07,;-15.25,6.49,;-18.32,9.17,;-19.53,8.21,;-20.96,8.79,;-21.18,10.31,;-19.97,11.26,;-18.54,10.69,;-17.57,11.45,;-.95,.32,;-1,2.05,;.56,-.22,)|
Structure:
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