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TargetCytochrome P450 2B6
LigandBDBM50225074
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1492463
IC50>50000±n/a nM
Citation Su, HBoulton, DWBarros, AWang, LCao, KBonacorsi, SJIyer, RAHumphreys, WGChristopher, LJ Characterization of the in vitro and in vivo metabolism and disposition and cytochrome P450 inhibition/induction profile of saxagliptin in human. Drug Metab Dispos40:1345-56 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2B6
Name:Cytochrome P450 2B6
Synonyms:Cytochrome P450 2B6 (CYP2B6)
Type:Protein
Mol. Mass.:56289.75
Organism:Homo sapiens (Human)
Description:P20813
Residue:491
Sequence:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFRE
KYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNR
WKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIIC
SIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQE
INAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGT
ETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFS
DLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGAL
KKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKI
PPTYQIRFLPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50225074
NameBDBM50225074
Synonyms:(1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile | (1S,6S)-2-(2-adamantan-1-yl-2-amino-acetyl)-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile | BMS-477118 | CHEMBL385517 | SAXAGLIPTIN
TypeSmall organic molecule
Emp. Form.C18H25N3O2
Mol. Mass.315.41
SMILESN[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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