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5T8E

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

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)
Androgen receptorpolymer25830150.31UniProt (P10275)
Pfam (PF00104)
Homo sapiens (Human)Dihydrotestosterone receptor,Nuclear receptor subfamily 3 group C member 4
2B, C
(A)
GLYCEROLnon-polymer92.12Chemie (GOL)
3D
(A)
2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrilenon-polymer250.71Chemie (77U)
4E
(A)
waterwater18.038Chemie (HOH)
Sequence modifications
A: 671 - 919 (UniProt: P10275)
PDBExternal DatabaseDetails
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
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight30150.3
Non-Polymers*Number of molecules3
Total formula weight434.9
All*Total formula weight30585.2
*Water molecules are not included.

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PDB entries from 2025-07-02

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