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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50502589
Substrate
n/a
Meas. Tech.
ChEMBL_1807990 (CHEMBL4307349)
IC50
150±n/a nM
Citation
 Harrison, TJ; Bauer, D; Berdichevsky, A; Chen, X; Duvadie, R; Hoogheem, B; Hatsis, P; Liu, Q; Mao, J; Miduturu, V; Rocheford, E; Zecri, F; Zessis, R; Zheng, R; Zhu, Q; Streeper, R; Patel, SJ Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett 10:1128-1133 (2019) [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:
BDBM50502589
Synonyms:
CHEMBL4540189
Type:
Small organic molecule
Emp. Form.:
C23H26N4O3
Mol. Mass.:
406.4775
SMILES:
CCc1nnc(Nc2ccc(nc2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)o1 |r,wU:19.20,wD:22.24,(4.49,-29.96,;6.03,-30.12,;6.66,-31.52,;5.89,-32.86,;6.92,-34,;8.33,-33.37,;9.66,-34.14,;11,-33.37,;10.99,-31.83,;12.31,-31.06,;13.66,-31.82,;13.66,-33.36,;12.33,-34.14,;14.98,-31.05,;16.32,-31.82,;17.65,-31.04,;17.64,-29.5,;16.3,-28.74,;14.97,-29.51,;18.97,-28.73,;18.96,-27.19,;20.3,-26.42,;21.63,-27.19,;22.97,-26.42,;24.3,-27.19,;25.64,-26.42,;24.3,-28.73,;21.63,-28.73,;20.31,-29.5,;8.16,-31.84,)|
Structure:
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