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TargetAndrogen receptor
LigandBDBM50156511
Substrate/Competitorn/a
Meas. Tech.ChEMBL_312372 (CHEMBL836730)
IC50 1330±n/a nM
Citation Balog, ASalvati, MEShan, WMathur, ALeith, LWWei, DDAttar, RMGeng, JRizzo, CAWang, CKrystek, SRTokarski, JSHunt, JTGottardis, MWeinmann, R The synthesis and evaluation of [2.2.1]-bicycloazahydantoins as androgen receptor antagonists. Bioorg Med Chem Lett14:6107-11 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Androgen receptor
Name:Androgen receptor
Synonyms:ANDR_HUMAN | AR | Androgen Receptor | Androgen receptor (AR) | Androgen receptor/Baculoviral IAP repeat-containing protein 2 | 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:
BDBM50156511
n/a
NameBDBM50156511
Synonyms:(1S,6S,7S)-4-(4-Nitro-naphthalen-1-yl)-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]decane-8-carboxylic acid tert-butyl ester | CHEMBL188545
TypeSmall organic molecule
Emp. Form.C22H22N4O6
Mol. Mass.438.4333
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n21 |wU:11.10,9.9,(-9.25,-.05,;-7.93,.7,;-7.93,2.25,;-9.25,1.48,;-6.58,-.05,;-5.24,.72,;-5.25,2.25,;-3.91,-.05,;-3.91,-1.6,;-2.58,-2.36,;-1.81,-.61,;-2.58,.72,;-1.24,-.05,;.22,.44,;.7,1.89,;1.13,-.83,;2.66,-.83,;3.45,-2.16,;4.99,-2.17,;5.74,-.83,;7.31,-.83,;8.09,-2.17,;8.09,.52,;4.98,.52,;5.73,1.85,;4.96,3.16,;3.41,3.16,;2.66,1.82,;3.44,.51,;.22,-2.07,;.7,-3.53,;-1.24,-1.6,)|
Structure
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