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Reaction Details
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TargetAndrogen Receptor
LigandBDBM50205116
Substrate/Competitorn/a
Meas. Tech.ChEMBL_438313
Ki 1.2±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:
BDBM50205116
NameBDBM50205116
Synonyms:2-bromo-4-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrrolo[1,2-e]imidazol-2(3H)-yl)-3-methylbenzonitrile | CHEMBL398226
TypeSmall organic molecule
Emp. Form.C14H12BrN3O3
Mol. Mass.350.167
SMILESCc1c(Br)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(21.54,-10.86,;22.32,-9.54,;23.86,-9.55,;24.62,-10.89,;24.64,-8.22,;23.87,-6.88,;22.33,-6.87,;21.56,-8.2,;20.02,-8.19,;19.13,-6.94,;19.61,-5.48,;17.66,-7.41,;16.2,-6.92,;15.73,-5.45,;15.28,-8.17,;16.19,-9.42,;17.65,-8.95,;19.11,-9.43,;19.58,-10.9,;26.18,-8.22,;27.72,-8.23,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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