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Target
Androgen receptor
Ligand
BDBM50228080
Substrate
n/a
Meas. Tech.
ChEMBL_321687 (CHEMBL872182)
IC50
676.08±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:
BDBM50228080
Synonyms:
2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate | 2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate | 2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate(Spiranolactone) | Aldactone | CHEMBL1393 | S-(2'R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl ethanethioate | SPIRONOLACTONE | Spiranolactone | cid_5833
Type:
Small organic molecule
Emp. Form.:
C24H32O4S
Mol. Mass.:
416.573
SMILES:
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|
Structure:
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