Reaction Details Report a problem with these data
Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50003815
Substrate
n/a
Meas. Tech.
ChEMBL_1336096 (CHEMBL3240807)
IC50
4.0±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
More Info.:
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:
BDBM50003815
Synonyms:
CHEMBL3235321
Type:
Small organic molecule
Emp. Form.:
C25H27F3N4O3
Mol. Mass.:
488.5021
SMILES:
CC1(C)Oc2nc(nc(N)c2N=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1)C(F)(F)F |r,wU:20.22,wD:23.26,c:12,(27.23,-21.22,;25.69,-21.22,;26.46,-22.55,;24.36,-22,;23.03,-21.23,;21.69,-22.01,;20.36,-21.24,;20.36,-19.69,;21.69,-18.92,;21.68,-17.38,;23.02,-19.69,;24.35,-18.91,;25.69,-19.67,;27.02,-18.9,;27,-17.37,;28.32,-16.58,;29.67,-17.35,;29.68,-18.88,;31.15,-19.35,;32.04,-18.1,;31.12,-16.86,;30.02,-15.78,;30.42,-14.29,;31.91,-13.88,;32.3,-12.39,;33.79,-11.99,;34.89,-13.08,;34.19,-10.5,;33,-14.97,;32.61,-16.45,;28.35,-19.66,;19.02,-22.01,;17.69,-21.24,;19.02,-23.55,;17.68,-22.77,)|