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Reaction Details
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TargetAndrogen Receptor
LigandBDBM50205100
Substrate/Competitorn/a
Meas. Tech.ChEMBL_438313
Ki 2.9±n/a nM
Citation Hamann, LGManfredi, MCSun, CKrystek, SRHuang, YBi, YAugeri, DJWang, TZou, YBetebenner, DAFura, ASeethala, RGolla, RKuhns, JELupisella, JADarienzo, CJCuster, LLPrice, JLJohnson, JMBiller, SAZahler, ROstrowski, J Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators. Bioorg Med Chem Lett17:1860-4 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Androgen Receptor
Name:Androgen Receptor
Synonyms:AR | Androgen receptor (AR) | DHTR | Dihydrotestosterone receptor | NR3C4 | Nuclear receptor subfamily 3 group C member 4
Type:Receptor
Mol. Mass.:99185.27
Organism:Homo sapiens (Human)
Description:CHO cells were stably transfected with human AR gene.
Residue:920
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQ
QQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQ
SALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSAD
LKDILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELC
KAVSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAG
KSTEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQ
SRDYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAA
GPGSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGEAGAVAP
YGYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRL
ETARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRN
DCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKL
TVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWA
KALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSR
MYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELD
RIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEII
SVQVPKILSGKVKPIYFHTQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50205100
NameBDBM50205100
Synonyms:4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrrolo[1,2-e]imidazol-2(3H)-yl)-3-methyl-2-(trifluoromethyl)benzonitrile | CHEMBL230694
TypeSmall organic molecule
Emp. Form.C15H12F3N3O3
Mol. Mass.339.2693
SMILESCc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:17.18,(-.05,-49.74,;.73,-48.41,;-.03,-47.07,;.75,-45.75,;2.28,-45.75,;3.05,-47.09,;4.59,-47.09,;6.13,-47.1,;2.27,-48.42,;3.03,-49.77,;3.79,-51.1,;1.69,-50.53,;4.38,-49.01,;-1.57,-47.07,;-2.46,-45.82,;-1.98,-44.35,;-3.93,-46.28,;-5.39,-45.8,;-5.86,-44.33,;-6.31,-47.04,;-5.4,-48.29,;-3.94,-47.82,;-2.48,-48.3,;-2.01,-49.77,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a