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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50003860
Substrate
n/a
Meas. Tech.
ChEMBL_1336096 (CHEMBL3240807)
IC50
5.0±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:
BDBM50003860
Synonyms:
CHEMBL3235317
Type:
Small organic molecule
Emp. Form.:
C23H25F3N4O3
Mol. Mass.:
462.4648
SMILES:
CC1(C)Oc2nc(nc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(F)(F)F |r,wU:19.21,wD:22.25,c:12,(27.64,-8.52,;26.1,-8.52,;26.87,-9.85,;24.77,-9.3,;23.44,-8.53,;22.1,-9.31,;20.77,-8.54,;20.77,-6.99,;22.1,-6.22,;22.1,-4.68,;23.44,-6.99,;24.76,-6.21,;26.1,-6.97,;27.43,-6.19,;28.76,-6.96,;30.09,-6.19,;30.08,-4.64,;28.73,-3.88,;27.41,-4.66,;31.41,-3.86,;31.39,-2.32,;32.72,-1.55,;34.06,-2.31,;35.39,-1.54,;36.73,-2.3,;36.74,-3.84,;38.06,-1.53,;34.06,-3.85,;32.74,-4.63,;19.44,-9.31,;18.1,-8.53,;19.43,-10.85,;18.09,-10.06,)|
Structure:
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