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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50003714
Substrate
n/a
Meas. Tech.
ChEMBL_1336506 (CHEMBL3242783)
IC50
>1000±n/a nM
Citation
 Fox, BM; Sugimoto, K; Iio, K; Yoshida, A; Zhang, JK; Li, K; Hao, X; Labelle, M; Smith, ML; Rubenstein, SM; Ye, G; McMinn, D; Jackson, S; Choi, R; Shan, B; Ma, J; Miao, S; Matsui, T; Ogawa, N; Suzuki, M; Kobayashi, A; Ozeki, H; Okuma, C; Ishii, Y; Tomimoto, D; Furakawa, N; Tanaka, M; Matsushita, M; Takahashi, M; Inaba, T; Sagawa, S; Kayser, F Discovery of 6-phenylpyrimido[4,5-b][1,4]oxazines as potent and selective acyl CoA:diacylglycerol acyltransferase 1 (DGAT1) inhibitors with in vivo efficacy in rodents. J Med Chem 57:3464-83 (2014) [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:
BDBM50003714
Synonyms:
CHEMBL3235324
Type:
Small organic molecule
Emp. Form.:
C24H29N3O3
Mol. Mass.:
407.5054
SMILES:
Cc1nc(N)c2C=C(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(C)(C)Oc2n1 |r,wU:14.14,wD:17.18,t:6,(.07,-32.77,;1.4,-32,;1.41,-30.46,;2.73,-29.69,;2.73,-28.15,;4.07,-30.45,;5.4,-29.68,;6.73,-30.44,;8.06,-29.66,;9.39,-30.43,;10.72,-29.65,;10.71,-28.11,;9.37,-27.35,;8.04,-28.13,;12.04,-27.33,;12.02,-25.79,;13.35,-25.01,;14.69,-25.78,;16.02,-25,;17.36,-25.77,;17.37,-27.31,;18.7,-24.99,;14.7,-27.32,;13.37,-28.09,;6.74,-31.98,;8.28,-31.98,;7.51,-33.32,;5.41,-32.76,;4.07,-31.99,;2.74,-32.77,)|
Structure:
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