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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50502588
Substrate
n/a
Meas. Tech.
ChEMBL_1807990 (CHEMBL4307349)
IC50
540±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:
BDBM50502588
Synonyms:
CHEMBL4439533
Type:
Small organic molecule
Emp. Form.:
C22H24N4O3
Mol. Mass.:
392.451
SMILES:
Cc1nnc(Nc2ccc(nc2)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)o1 |r,wU:18.19,wD:21.23,(5.21,-17.94,;5.84,-19.34,;5.07,-20.68,;6.1,-21.82,;7.51,-21.19,;8.85,-21.96,;10.18,-21.19,;10.17,-19.65,;11.49,-18.88,;12.84,-19.64,;12.84,-21.18,;11.51,-21.96,;14.16,-18.87,;15.5,-19.64,;16.83,-18.86,;16.83,-17.32,;15.48,-16.56,;14.16,-17.33,;18.15,-16.55,;18.14,-15.01,;19.48,-14.24,;20.82,-15.01,;22.15,-14.24,;23.49,-15.01,;24.82,-14.23,;23.49,-16.55,;20.82,-16.55,;19.49,-17.32,;7.35,-19.66,)|
Structure:
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