5T8J

Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Androgen receptor	polymer	258	30150.3	1	UniProt (P10275) Pfam (PF00104) In PDB	Homo sapiens (Human)	Dihydrotestosterone receptor,Nuclear receptor subfamily 3 group C member 4
2	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	A	2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile	non-polymer		248.3	1	Chemie (77T)
4		water	water		18.0	51	Chemie (HOH)

Sequence modifications

A: 671 - 919 (UniProt: P10275)

PDB	External Database	Details
Met 662	-	initiating methionine
His 663	-	expression tag
His 664	-	expression tag
His 665	-	expression tag
His 666	-	expression tag
His 667	-	expression tag
His 668	-	expression tag
Gly 669	-	expression tag
Ser 670	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30150.3
Non-Polymers*	Number of molecules	2
	Total formula weight	340.4
All*	Total formula weight	30490.7

*Water molecules are not included.