Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAndrogen receptor
LigandBDBM50156513
Substrate/Competitorn/a
Meas. Tech.ChEMBL_303250 (CHEMBL826376)
Ki 10±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:
BDBM50156513
n/a
NameBDBM50156513
Synonyms:(1S,6R,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 4-fluoro-phenyl ester | CHEMBL426623
TypeSmall organic molecule
Emp. Form.C24H17FN4O6
Mol. Mass.476.4134
SMILESOc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wU:3.3,5.4,(1.62,1.68,;1.15,.21,;-.3,-.27,;-1.63,.51,;-.88,-.83,;-1.63,-2.57,;-2.96,-1.81,;-2.96,-.27,;-4.29,.51,;-4.29,2.05,;-5.63,-.27,;-6.96,.51,;-8.29,-.27,;-9.63,.49,;-9.65,2.05,;-10.86,2.66,;-8.29,2.82,;-6.96,2.05,;-.3,-1.81,;1.15,-2.28,;1.62,-3.74,;2.04,-1.04,;3.61,-1.04,;4.37,-2.38,;5.9,-2.38,;6.69,-1.05,;8.24,-1.05,;9.01,-2.38,;9.01,.3,;5.9,.3,;6.67,1.63,;5.9,2.96,;4.36,2.94,;3.61,1.61,;4.37,.3,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: