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TargetAndrogen receptor
LigandBDBM50257278
Substrate/Competitorn/a
Meas. Tech.ChEBML_1689751
EC50 0.170000±n/a nM
Citation Unwalla, RMousseau, JJFadeyi, OOChoi, CParris, KHu, BKenney, TChippari, SMcNally, CVishwanathan, KKilbourne, EThompson, CNagpal, SWrobel, JYudt, MMorris, CAPowell, DGilbert, AMChekler, ELP Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators. J Med Chem60:6451-6457 (2017) [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:
BDBM50257278
n/a
NameBDBM50257278
Synonyms:CHEMBL4074555
TypeSmall organic molecule
Emp. Form.C12H8Cl2N2O
Mol. Mass.267.111
SMILESCn1c(ccc1-c1c(Cl)cc(O)cc1Cl)C#N |(33.03,-30.55,;32.98,-29.01,;31.71,-28.14,;32.14,-26.67,;33.68,-26.61,;34.2,-28.07,;35.68,-28.49,;36.78,-27.43,;36.41,-25.93,;38.26,-27.85,;38.63,-29.35,;40.11,-29.78,;37.52,-30.42,;36.04,-29.99,;34.93,-31.05,;30.25,-28.67,;28.81,-29.19,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: