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Target
Elongation of very long chain fatty acids protein 1
Ligand
BDBM50581562
Substrate
n/a
Meas. Tech.
ChEMBL_2151671 (CHEMBL5036133)
IC50
2.0±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:
BDBM50581562
Synonyms:
CHEMBL5081977
Type:
Small organic molecule
Emp. Form.:
C18H19ClN6O
Mol. Mass.:
370.836
SMILES:
Clc1ccn(n1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1 |r,wU:14.15,16.20,8.11,wD:6.6,(42.51,-33.26,;43.42,-32.01,;44.96,-32.01,;45.43,-30.55,;44.18,-29.64,;42.94,-30.55,;44.18,-28.1,;45.27,-27.02,;44.18,-25.94,;43.09,-27.02,;44.18,-24.4,;45.52,-23.62,;45.52,-22.07,;46.85,-21.3,;48.18,-22.06,;49.67,-21.65,;50.07,-23.14,;48.59,-23.54,;51.41,-23.9,;51.57,-25.43,;53.08,-25.74,;53.84,-24.41,;52.81,-23.27,;44.18,-21.31,;42.85,-22.08,;42.85,-23.63,)|
Structure:
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