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Target
Androgen receptor
Ligand
BDBM50067678
Substrate
n/a
Meas. Tech.
ChEMBL_321687 (CHEMBL872182)
IC50
794±n/a nM
Citation
 Lill, MA; Winiger, F; Vedani, A; Ernst, B Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. J Med Chem 48:5666-74 (2005) [PubMed]  Article 
Target
Name:
Androgen receptor
Synonyms:
ANDR_RAT | Androgen receptor (AR) | Ar | Estrogen receptor | Nr3c4 | androgen
Type:
Enzyme
Mol. Mass.:
98219.08
Organism:
Rattus norvegicus (Rat)
Description:
P15207
Residue:
902
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREAIQNPGPRHPEAASIAPPGACLQQRQETSPRRRRRQQHPEDGSPQAHIRGTTGYLALEEEQQPSQQQSASEGHPESGCLPEPGAATAPGKGLPQQPPAPPDQDDSAAPSTLSLLGPTFPGLSSCSADIKDILSEAGTMQLLQQQQQQQQQQQQQQQQQQQQQQEVISEGSSSVRAREATGAPSSSKDSYLGGNSTISDSAKELCKAVSVSMGLGVEALEHLSPGEQLRGDCMYASLLGGPPAVRPTPCAPLAECKGLSLDEGPGKGTEETAEYSSFKGGYAKGLEGESLGCSGSSEAGSSGTLEIPSSLSLYKSGAVDEAAAYQNRDYYNFPLALSGPPHPPPPTHPHARIKLENPSDYGSAWAAAAAQCRYGDLASLHGGSVAGPSTGSPPATASSSWHTLFTAEEGQLYGPGGGGGSSSPSDAGPVAPYGYTRPPQGLASQEGDFSASEVWYPGGVVNRVPYPSPSCVKSEMGPWMENYSGPYGDMRLDSTRDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGENSSAGSPTEDPSQKMTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
  
Inhibitor
Name:
BDBM50067678
Synonyms:
(6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione | (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate | 17-Acetoxy-6alpha-methylprogesterone | 17alpha-Hydroxy-6alpha-methylprogesterone acetate | 6-alpha-Methyl-17-alpha-acetoxyprogesterone | 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate | 6alpha-Methyl-17-acetoxy progesterone | 6alpha-Methyl-17alpha-hydroxyprogesterone acetate | 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate | MEDROXYPROGESTERONE | Medroxyacetate progesterone | Medroxyprogesterone 17-acetate | Methylacetoxyprogesterone | Metigestrona | US9271961, MPA | medroxyprogesterone acetate
Type:
Small organic molecule
Emp. Form.:
C24H34O4
Mol. Mass.:
386.5244
SMILES:
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Structure:
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