Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2C8
LigandBDBM211757
Substrate/Competitorn/a
Meas. Tech.Human Neutrophil Elastase Assay
pH7.5±n/a
Temperature298.15±n/a K
IC50>50000±n/a nM
Commentsextracted
Citation Gnamm, COost, TPeters, SHoesch, HRies, UJ Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity US Patent US9670166 Publication Date 6/6/2017
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C8
Name:Cytochrome P450 2C8
Synonyms:CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase
Type:Protein
Mol. Mass.:55839.23
Organism:Homo sapiens (Human)
Description:P10632
Residue:490
Sequence:
MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKV
YGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRW
KEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICS
VVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALT
RSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTE
TTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSD
LVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFK
KSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLP
PSYQICFIPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM211757
n/a
NameBDBM211757
Synonyms:US9290459, 10A | US9290459, 47.21 | US9670166, 10A
TypeSmall organic molecule
Emp. Form.C22H16F3N3O4S
Mol. Mass.475.44
SMILESCS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:16|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: