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Target
Diacylglycerol O-acyltransferase 1
Ligand
BDBM50502595
Substrate
n/a
Meas. Tech.
ChEMBL_1807990 (CHEMBL4307349)
IC50
9.0±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:
BDBM50502595
Synonyms:
CHEMBL4554065
Type:
Small organic molecule
Emp. Form.:
C25H28N4O2S
Mol. Mass.:
448.58
SMILES:
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2nnc(s2)C2CCC2)cn1 |r,wU:7.10,wD:4.3,(51.91,-2.96,;50.57,-3.73,;50.58,-5.27,;49.24,-2.97,;47.91,-3.74,;46.57,-2.97,;45.23,-3.74,;45.24,-5.28,;46.58,-6.05,;47.91,-5.28,;43.92,-6.05,;43.92,-7.59,;42.59,-8.37,;41.25,-7.6,;41.25,-6.06,;42.57,-5.29,;39.93,-8.37,;38.58,-7.6,;37.26,-8.38,;37.27,-9.92,;35.94,-10.69,;34.6,-9.92,;33.19,-10.55,;32.16,-9.41,;32.93,-8.07,;34.44,-8.39,;32.3,-6.66,;32.85,-5.23,;31.41,-4.68,;30.86,-6.12,;38.6,-10.68,;39.93,-9.91,)|
Structure:
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