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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
BDBM50166702
Substrate
n/a
Meas. Tech.
ChEMBL_1523380 (CHEMBL3630407)
IC50
14±n/a nM
Citation
 Zhao, Z; Pissarnitski, DA; Josien, HB; Wu, WL; Xu, R; Li, H; Clader, JW; Burnett, DA; Terracina, G; Hyde, L; Lee, J; Song, L; Zhang, L; Parker, EM Discovery of a Novel, Potent Spirocyclic Series of¿-Secretase Inhibitors. J Med Chem 58:8806-17 (2015) [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:
BDBM50166702
Synonyms:
2-(1-(4-chlorophenylsulfonyl)cyclohexyl)-1,4-difluorobenzene | 2-[1-(4-Chloro-benzenesulfonyl)-cyclohexyl]-1,4-difluoro-benzene | CHEMBL425566
Type:
Small organic molecule
Emp. Form.:
C18H17ClF2O2S
Mol. Mass.:
370.841
SMILES:
Fc1ccc(F)c(c1)C1(CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: