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Target
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
Ligand
BDBM50185406
Substrate
n/a
Meas. Tech.
ChEMBL_358169 (CHEMBL854203)
IC50
0.76±n/a nM
Citation
 Shaw, D; Best, J; Dinnell, K; Nadin, A; Shearman, M; Pattison, C; Peachey, J; Reilly, M; Williams, B; Wrigley, J; Harrison, T 3,4-Fused cyclohexyl sulfones as gamma-secretase inhibitors. Bioorg Med Chem Lett 16:3073-7 (2006) [PubMed]  Article 
Target
Name:
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
Synonyms:
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2 | Gamma-secretase | Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin /Presenilin 1/Presenilin 2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 68900
Components:
This complex has 6 components.
Component 1
Name:
Gamma-secretase subunit APH-1B
Synonyms:
APH-1b | APH1B | APH1B_HUMAN | Aph-1beta | Gamma-secretase | Gamma-secretase subunit APH-1B | PSFL | Presenilin-stabilization factor-like
Type:
PROTEIN
Mol. Mass.:
28468.17
Organism:
Homo sapiens (Human)
Description:
EBI_10231
Residue:
257
Sequence:
MTAAVFFGCAFIAFGPALALYVFTIATEPLRIIFLIAGAFFWLVSLLISSLVWFMARVIIDNKDGPTQKYLLIFGAFVSVYIQEMFRFAYYKLLKKASEGLKSINPGETAPSMRLLAYVSGLGFGIMSGVFSFVNTLSDSLGPGTVGIHGDSPQFFLYSAFMTLVIILLHVFWGIVFFDGCEKKKWGILLIVLLTHLLVSAQTFISSYYGINLASAFIILVLMGTWAFLAAGGSCRSLKLCLLCQDKNFLLYNQRSR
  
Component 2
Name:
Presenilin-2
Synonyms:
AD3LP | AD4 | AD5 | E5-1 | Gamma-secretase | PS-2 | PS2 | PSEN2 | PSN2_HUMAN | PSNL2 | Presenilin 2 | Presenilin-2 | Presenilin-2 CTF subunit | Presenilin-2 NTF subunit | STM-2 | STM2
Type:
PROTEIN
Mol. Mass.:
50116.65
Organism:
Homo sapiens (Human)
Description:
ChEMBL_855576
Residue:
448
Sequence:
MLTFMASDSEEEVCDERTSLMSAESPTPRSCQEGRQGPEDGENTAQWRSQENEEDGEEDPDRYVCSGVPGRPPGLEEELTLKYGAKHVIMLFVPVTLCMIVVVATIKSVRFYTEKNGQLIYTPFTEDTPSVGQRLLNSVLNTLIMISVIVVMTIFLVVLYKYRCYKFIHGWLIMSSLMLLFLFTYIYLGEVLKTYNVAMDYPTLLLTVWNFGAVGMVCIHWKGPLVLQQAYLIMISALMALVFIKYLPEWSAWVILGAISVYDLVAVLCPKGPLRMLVETAQERNEPIFPALIYSSAMVWTVGMAKLDPSSQGALQLPYDPEMEEDSYDSFGEPSYPEVFEPPLTGYPGEELEEEEERGVKLGLGDFIFYSVLVGKAAATGSGDWNTTLACFVAILIGLCLTLLLLAVFKKALPALPISITFGLIFYFSTDNLVRPFMDTLASHQLYI
  
Component 3
Name:
Gamma-secretase subunit APH-1A
Synonyms:
APH-1a | APH1A | APH1A_HUMAN | Aph-1alpha | Gamma-Secretase Subunit APH-1A | PSF | Presenilin-stabilization factor
Type:
Enzyme subunit; multi-pass membrane protein
Mol. Mass.:
28998.73
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
265
Sequence:
MGAAVFFGCTFVAFGPAFALFLITVAGDPLRVIILVAGAFFWLVSLLLASVVWFILVHVTDRSDARLQYGLLIFGAAVSVLLQEVFRFAYYKLLKKADEGLASLSEDGRSPISIRQMAYVSGLSFGIISGVFSVINILADALGPGVVGIHGDSPYYFLTSAFLTAAIILLHTFWGVVFFDACERRRYWALGLVVGSHLLTSGLTFLNPWYEASLLPIYAVTVSMGLWAFITAGGSLRSIQRSLLCRRQEDSRVMVYSALRIPPED
  
Component 4
Name:
Nicastrin
Synonyms:
Gamma-secretase | KIAA0253 | NCSTN | NICA_HUMAN | Nicastrin
Type:
PROTEIN
Mol. Mass.:
78404.96
Organism:
Homo sapiens (Human)
Description:
EBI_10683
Residue:
709
Sequence:
MATAGGGSGADPGSRGLLRLLSFCVLLAGLCRGNSVERKIYIPLNKTAPCVRLLNATHQIGCQSSISGDTGVIHVVEKEEDLQWVLTDGPNPPYMVLLESKHFTRDLMEKLKGRTSRIAGLAVSLTKPSPASGFSPSVQCPNDGFGVYSNSYGPEFAHCREIQWNSLGNGLAYEDFSFPIFLLEDENETKVIKQCYQDHNLSQNGSAPTFPLCAMQLFSHMHAVISTATCMRRSSIQSTFSINPEIVCDPLSDYNVWSMLKPINTTGTLKPDDRVVVAATRLDSRSFFWNVAPGAESAVASFVTQLAAAEALQKAPDVTTLPRNVMFVFFQGETFDYIGSSRMVYDMEKGKFPVQLENVDSFVELGQVALRTSLELWMHTDPVSQKNESVRNQVEDLLATLEKSGAGVPAVILRRPNQSQPLPPSSLQRFLRARNISGVVLADHSGAFHNKYYQSIYDTAENINVSYPEWLSPEEDLNFVTDTAKALADVATVLGRALYELAGGTNFSDTVQADPQTVTRLLYGFLIKANNSWFQSILRQDLRSYLGDGPLQHYIAVSSPTNTTYVVQYALANLTGTVVNLTREQCQDPSKVPSENKDLYEYSWVQGPLHSNETDRLPRCVRSTARLARALSPAFELSQWSSTEYSTWTESRWKDIRARIFLIASKELELITLTVGFGILIFSLIVTYCINAKADVLFIAPREPGAVSY
  
Component 5
Name:
Presenilin-1
Synonyms:
3.4.23.- | AD3 | Gamma-Secretase Subunit Presenilin-1 | PS-1 | PS1 | PS1-CTF12 | PSEN1 | PSN1_HUMAN | PSNL1 | Presenilin-1 CTF subunit | Presenilin-1 CTF12 | Presenilin-1 NTF subunit | Protein S182
Type:
n/a
Mol. Mass.:
52657.13
Organism:
Homo sapiens (Human)
Description:
P49768
Residue:
467
Sequence:
MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSRQVVEQDEEEDEELTLKYGAKHVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTEDTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYKVIHAWLIISSLLLLFFFSFIYLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKYLPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAEGDPEAQRRVSKNSKYNAESTERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAAVQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATASGDWNTTIACFVAILIGLCLTLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI
  
Component 6
Name:
Gamma-secretase subunit PEN-2
Synonyms:
Gamma-Secretase Subunit PEN-2 | Gamma-secretase | PEN2 | PEN2_HUMAN | PSENEN | Presenilin enhancer protein 2
Type:
Enzyme subunit; multi-pass membrane protein
Mol. Mass.:
12031.98
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
101
Sequence:
MNLERVSNEEKLNLCRKYYLGGFAFLPFLWLVNIFWFFREAFLVPAYTEQSQIKGYVWRSAVGFLFWVIVLTSWITIFQIYRPRWGALGDYLSFTIPLGTP
  
Inhibitor
Name:
BDBM50185406
Synonyms:
(4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-3-ethyl-octahydro-isothiochromene 2,2-dioxide | CHEMBL377264
Type:
Small organic molecule
Emp. Form.:
C23H25ClF2O4S2
Mol. Mass.:
503.022
SMILES:
CCC1C[C@@H]2C[C@](CC[C@@H]2CS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
Structure:
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