Reaction Details |
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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 |
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Ligand | BDBM50143454 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_42222 (CHEMBL654703) |
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IC50 | 8000±n/a nM |
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Citation | Esler, WP; Das, C; Wolfe, MS Probing pockets S2-S4' of the gamma-secretase active site with (hydroxyethyl)urea peptidomimetics. Bioorg Med Chem Lett14:1935-8 (2004) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 |
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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
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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
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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
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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
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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
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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
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BDBM50143454 |
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n/a |
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Name | BDBM50143454 |
Synonyms: | (S)-2-[3-Benzyl-3-((2R,3S)-3-tert-butoxycarbonylamino-2-hydroxy-4-phenyl-butyl)-ureido]-4-methyl-pentanoic acid methyl ester | CHEMBL176625 |
Type | Small organic molecule |
Emp. Form. | C30H43N3O6 |
Mol. Mass. | 541.6789 |
SMILES | COC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |
Structure |
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