Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
LigandBDBM28986
Substrate/Competitorn/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 Chem58:8806-17 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
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:
MTAAVFFGCAFIAFGPALALYVFTIATEPLRIIFLIAGAFFWLVSLLISSLVWFMARVII
DNKDGPTQKYLLIFGAFVSVYIQEMFRFAYYKLLKKASEGLKSINPGETAPSMRLLAYVS
GLGFGIMSGVFSFVNTLSDSLGPGTVGIHGDSPQFFLYSAFMTLVIILLHVFWGIVFFDG
CEKKKWGILLIVLLTHLLVSAQTFISSYYGINLASAFIILVLMGTWAFLAAGGSCRSLKL
CLLCQDKNFLLYNQRSR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MLTFMASDSEEEVCDERTSLMSAESPTPRSCQEGRQGPEDGENTAQWRSQENEEDGEEDP
DRYVCSGVPGRPPGLEEELTLKYGAKHVIMLFVPVTLCMIVVVATIKSVRFYTEKNGQLI
YTPFTEDTPSVGQRLLNSVLNTLIMISVIVVMTIFLVVLYKYRCYKFIHGWLIMSSLMLL
FLFTYIYLGEVLKTYNVAMDYPTLLLTVWNFGAVGMVCIHWKGPLVLQQAYLIMISALMA
LVFIKYLPEWSAWVILGAISVYDLVAVLCPKGPLRMLVETAQERNEPIFPALIYSSAMVW
TVGMAKLDPSSQGALQLPYDPEMEEDSYDSFGEPSYPEVFEPPLTGYPGEELEEEEERGV
KLGLGDFIFYSVLVGKAAATGSGDWNTTLACFVAILIGLCLTLLLLAVFKKALPALPISI
TFGLIFYFSTDNLVRPFMDTLASHQLYI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MGAAVFFGCTFVAFGPAFALFLITVAGDPLRVIILVAGAFFWLVSLLLASVVWFILVHVT
DRSDARLQYGLLIFGAAVSVLLQEVFRFAYYKLLKKADEGLASLSEDGRSPISIRQMAYV
SGLSFGIISGVFSVINILADALGPGVVGIHGDSPYYFLTSAFLTAAIILLHTFWGVVFFD
ACERRRYWALGLVVGSHLLTSGLTFLNPWYEASLLPIYAVTVSMGLWAFITAGGSLRSIQ
RSLLCRRQEDSRVMVYSALRIPPED
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MATAGGGSGADPGSRGLLRLLSFCVLLAGLCRGNSVERKIYIPLNKTAPCVRLLNATHQI
GCQSSISGDTGVIHVVEKEEDLQWVLTDGPNPPYMVLLESKHFTRDLMEKLKGRTSRIAG
LAVSLTKPSPASGFSPSVQCPNDGFGVYSNSYGPEFAHCREIQWNSLGNGLAYEDFSFPI
FLLEDENETKVIKQCYQDHNLSQNGSAPTFPLCAMQLFSHMHAVISTATCMRRSSIQSTF
SINPEIVCDPLSDYNVWSMLKPINTTGTLKPDDRVVVAATRLDSRSFFWNVAPGAESAVA
SFVTQLAAAEALQKAPDVTTLPRNVMFVFFQGETFDYIGSSRMVYDMEKGKFPVQLENVD
SFVELGQVALRTSLELWMHTDPVSQKNESVRNQVEDLLATLEKSGAGVPAVILRRPNQSQ
PLPPSSLQRFLRARNISGVVLADHSGAFHNKYYQSIYDTAENINVSYPEWLSPEEDLNFV
TDTAKALADVATVLGRALYELAGGTNFSDTVQADPQTVTRLLYGFLIKANNSWFQSILRQ
DLRSYLGDGPLQHYIAVSSPTNTTYVVQYALANLTGTVVNLTREQCQDPSKVPSENKDLY
EYSWVQGPLHSNETDRLPRCVRSTARLARALSPAFELSQWSSTEYSTWTESRWKDIRARI
FLIASKELELITLTVGFGILIFSLIVTYCINAKADVLFIAPREPGAVSY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MTELPAPLSYFQNAQMSEDNHLSNTVRSQNDNRERQEHNDRRSLGHPEPLSNGRPQGNSR
QVVEQDEEEDEELTLKYGAKHVIMLFVPVTLCMVVVVATIKSVSFYTRKDGQLIYTPFTE
DTETVGQRALHSILNAAIMISVIVVMTILLVVLYKYRCYKVIHAWLIISSLLLLFFFSFI
YLGEVFKTYNVAVDYITVALLIWNFGVVGMISIHWKGPLRLQQAYLIMISALMALVFIKY
LPEWTAWLILAVISVYDLVAVLCPKGPLRMLVETAQERNETLFPALIYSSTMVWLVNMAE
GDPEAQRRVSKNSKYNAESTERESQDTVAENDDGGFSEEWEAQRDSHLGPHRSTPESRAA
VQELSSSILAGEDPEERGVKLGLGDFIFYSVLVGKASATASGDWNTTIACFVAILIGLCL
TLLLLAIFKKALPALPISITFGLVFYFATDYLVQPFMDQLAFHQFYI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
MNLERVSNEEKLNLCRKYYLGGFAFLPFLWLVNIFWFFREAFLVPAYTEQSQIKGYVWRS
AVGFLFWVIVLTSWITIFQIYRPRWGALGDYLSFTIPLGTP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM28986
n/a
NameBDBM28986
Synonyms:N-{4-[(4-chlorobenzene)sulfonyl]-4-(2,5-difluorophenyl)cyclohexyl}trifluoromethanesulfonamide | cyclohexyl sulfone-based compound, 32
TypeSmall organic molecule
Emp. Form.C19H17ClF5NO4S2
Mol. Mass.517.918
SMILESFc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.15,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;2.8,5.68,;1.47,4.91,;5.47,5.68,;5.47,7.22,;3.98,7.62,;5.47,8.76,;6.95,7.62,;6.75,9.15,;7.16,6.09,;8.44,8.02,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: