9D4B

Discovery of SMD-3236, a Potent, Highly Selective and Efficacious SMARCA2 Degrader for the Treatment of SMARC4-Deficient Human Cancers

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	von Hippel-Lindau disease tumor suppressor	polymer	161	18615.2	2	UniProt (P40337) Pfam (PF01847) Pfam (PF17211)	Homo sapiens (human)	Protein G7,pVHL
2	B, E (B, E)	Elongin-B	polymer	104	11748.4	2	UniProt (Q15370) Pfam (PF00240)	Homo sapiens (human)	EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2
3	C, F (C, F)	Elongin-C	polymer	96	10843.4	2	UniProt (Q15369) Pfam (PF03931)	Homo sapiens (human)	EloC, Elongin 15 kDa subunit, RNA polymerase II transcription factor SIII subunit C, SIII p15, Transcription elongation factor B polypeptide 1
4	G, H (G, H)	Probable global transcription activator SNF2L2	polymer	123	14380.5	2	UniProt (B4DNT1) Pfam (PF00439)	Homo sapiens (human)	cDNA FLJ61143,highly similar to Probable global transcription activator SNF2L2
5	I, J (A, D)	(4R)-1-[(2S)-2-{4-[(1S,4S)-4-({4-[(12'S)-4'-chloro-5'-oxo-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-10'-yl]piperidin-1-yl}methyl)cyclohexyl]-1H-1,2,3-triazol-1-yl}-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-(morpholin-4-yl)ethyl]-L-prolinamide	non-polymer		1095.8	2	Chemie (A1A1U)

Sequence modifications

A, D: 54 - 213 (UniProt: P40337)

PDB	External Database	Details
Gly 53	-	expression tag

G, H: 1373 - 1493 (UniProt: B4DNT1)

PDB	External Database	Details
Ser 1371	-	expression tag
Met 1372	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	111175.2
Non-Polymers*	Number of molecules	2
	Total formula weight	2191.7
All*	Total formula weight	113366.8

*Water molecules are not included.