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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50003862
Substrate
n/a
Meas. Tech.
ChEMBL_1336506 (CHEMBL3242783)
IC50
2500±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:
BDBM50003862
Synonyms:
CHEMBL3235319
Type:
Small organic molecule
Emp. Form.:
C22H26N8O
Mol. Mass.:
418.4948
SMILES:
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:19.21,wD:22.25,c:12,(58.66,-9.38,;57.12,-9.38,;57.89,-10.71,;55.79,-10.16,;54.46,-9.39,;53.12,-10.17,;51.79,-9.4,;51.79,-7.86,;53.12,-7.08,;53.11,-5.54,;54.45,-7.85,;55.78,-7.08,;57.12,-7.84,;58.45,-7.06,;59.78,-7.83,;61.11,-7.05,;61.1,-5.51,;59.75,-4.75,;58.43,-5.53,;62.43,-4.73,;62.4,-3.19,;63.74,-2.41,;65.08,-3.18,;66.41,-2.4,;67.75,-3.17,;69.14,-2.53,;70.18,-3.67,;69.41,-5.01,;67.9,-4.7,;65.08,-4.72,;63.76,-5.49,)|
Structure:
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