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Target
Cytochrome P450 2A2
Ligand
BDBM50158336
Substrate
n/a
Meas. Tech.
ChEMBL_2335697
Kd
6.2±n/a nM
Citation
 Kondacs, L; Parijat, P; Cobb, AJA; Kampourakis, T Synthesis and Biophysical Characterization of Fingolimod Derivatives as Cardiac Troponin Antagonists. ACS Med Chem Lett 15:413-417 (2024) [PubMed] 
Target
Name:
Cytochrome P450 2A2
Synonyms:
CP2A2_RAT | Cyp2a2 | Cyp2a-2
Type:
PROTEIN
Mol. Mass.:
56350.84
Organism:
Rat
Description:
ChEMBL_17
Residue:
492
Sequence:
MLDTGLLLVVILASLSVMFLVSLWQQKIRERLPPGPTPLPFIGNYLQLNMKDVYSSITQLSERYGPVFTIHLGPRRIVVLYGYDAVKEALVDQAEEFSGRGELPTFNILFKGYGFSLSNVEQAKRIRRFTIATLRDFGVGKRDVQECILEEAGYLIKTLQGTCGAPIDPSIYLSKTVSNVINSIVFGNRFDYEDKEFLSLLEMIDEMNIFAASATGQLYDMFHSVMKYLPGPQQQIIKVTQKLEDFMIEKVRQNHSTLDPNSPRNFIDSFLIRMQEEKYVNSEFHMNNLVMSSLGLLFAGTGSVSSTLYHGFLLLMKHPDVEAKVHEEIERVIGRNRQPQYEDHMKMPYTQAVINEIQRFSNLAPLGIPRRIIKNTTFRGFFLPKGTDVFPIIGSLMTEPKFFPNHKDFNPQHFLDDKGQLKKNAAFLPFSIGKRFCLGDSLAKMELFLLLTTILQNFRFKFPMNLEDINEYPSPIGFTRIIPNYTMSFMPI
  
Inhibitor
Name:
BDBM50158336
Synonyms:
FINGOLIMOD HYDROCHLORIDE | 2-amino-2-(4-octylphenethyl)propane-1,3-diol | CHEMBL314854 | 2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol | 2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol | FINGOLIMOD
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: