Reaction Details Report a problem with these data
Target
Elongation of very long chain fatty acids protein 1
Ligand
BDBM50581571
Substrate
n/a
Meas. Tech.
ChEMBL_2151671 (CHEMBL5036133)
IC50
10.0±n/a nM
Citation
 Boyd, MJ; Collier, PN; Clark, MP; Deng, H; Kesavan, S; Ronkin, SM; Waal, N; Wang, J; Cao, J; Li, P; Come, J; Davies, I; Duffy, JP; Cochran, JE; Court, JJ; Chandupatla, K; Jackson, KL; Maltais, F; O'Dowd, H; Boucher, C; Considine, T; Taylor, WP; Gao, H; Chakilam, A; Engtrakul, J; Crawford, D; Doyle, E; Phillips, J; Kemper, R; Swett, R; Empfield, J; Bunnage, ME; Charifson, PS; Magavi, SS Discovery of Novel, Orally Bioavailable Pyrimidine Ether-Based Inhibitors of ELOVL1. J Med Chem 64:17777-17794 (2021) [PubMed]  Article 
Target
Name:
Elongation of very long chain fatty acids protein 1
Synonyms:
ELOV1_HUMAN | ELOVL1 | SSC1
Type:
PROTEIN
Mol. Mass.:
32679.45
Organism:
Homo sapiens (Human)
Description:
ChEMBL_572241
Residue:
279
Sequence:
MEAVVNLYQEVMKHADPRIQGYPLMGSPLLMTSILLTYVYFVLSLGPRIMANRKPFQLRGFMIVYNFSLVALSLYIVYEFLMSGWLSTYTWRCDPVDYSNSPEALRMVRVAWLFLFSKFIELMDTVIFILRKKDGQVTFLHVFHHSVLPWSWWWGVKIAPGGMGSFHAMINSSVHVIMYLYYGLSAFGPVAQPYLWWKKHMTAIQLIQFVLVSLHISQYYFMSSCNYQYPVIIHLIWMYGTIFFMLFSNFWYHSYTKGKRLPRALQQNGAPGIAKVKAN
  
Inhibitor
Name:
BDBM50581571
Synonyms:
CHEMBL5084780
Type:
Small organic molecule
Emp. Form.:
C18H20N6O
Mol. Mass.:
336.391
SMILES:
C1[C@@H](C[C@@H]1n1cccn1)Oc1cc(ncn1)[C@H]1C[C@@H](C1)n1cccn1 |r,wU:1.10,3.4,16.18,wD:18.23,(13.16,-20.32,;11.68,-20.73,;12.08,-22.21,;13.56,-21.8,;14.9,-22.57,;15.06,-24.09,;16.57,-24.41,;17.33,-23.07,;16.3,-21.93,;10.34,-19.96,;9.01,-20.74,;9.01,-22.29,;7.68,-23.06,;6.34,-22.29,;6.34,-20.74,;7.67,-19.97,;7.68,-24.6,;8.76,-25.68,;7.67,-26.77,;6.59,-25.68,;7.67,-28.31,;8.93,-29.21,;8.45,-30.68,;6.91,-30.68,;6.43,-29.21,)|
Structure:
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