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Target
Tubulin alpha chain-like 3/1A chain/1B chain/1C chain/3C chain/3E chain/4A chain/8 chain
Ligand
BDBM50517652
Substrate
n/a
Meas. Tech.
ChEMBL_1869428 (CHEMBL4370494)
IC50
540±n/a nM
Citation
 Coulup, SK; Huang, DS; Wong, HL; Georg, GI Identification of the Metabolic Profile of the ?-Tubulin-Binding Natural Product (-)-Pironetin. J Med Chem 62:1684-1689 (2019) [PubMed]  Article 
Target
Name:
Tubulin alpha chain-like 3/1A chain/1B chain/1C chain/3C chain/3E chain/4A chain/8 chain
Synonyms:
Tubulin alpha | Tubulin alpha-1A/-B/-1C/-3C/-3E/-8 chain/Tubulin alpha chain-like 3
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1869428
Components:
This complex has 8 components.
Component 1
Name:
Tubulin alpha-3C chain
Synonyms:
Alpha-tubulin 2 | Alpha-tubulin 3C | TBA3C_HUMAN | TUBA2 | TUBA3C | Tubulin alpha-2 chain
Type:
Protein
Mol. Mass.:
49942.36
Organism:
Human
Description:
P0DPH7
Residue:
450
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVVDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIVDLVLDRIRKLADLCTGLQGFLIFHSFGGGTGSGFASLLMERLSVDYGKKSKLEFAIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLIGQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCMLYRGDVVPKDVNAAIATIKTKRTIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDLAALEKDYEEVGVDSVEAEAEEGEEY
  
Component 2
Name:
Tubulin alpha-4A chain
Synonyms:
Alpha-tubulin 1 | TBA4A_HUMAN | TUBA1 | TUBA4A | Testis-specific alpha-tubulin | Tubulin H2-alpha | Tubulin alpha-1 chain
Type:
Protein
Mol. Mass.:
49906.22
Organism:
Human
Description:
P68366
Residue:
448
Sequence:
MRECISVHVGQAGVQMGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFTTFFCETGAGKHVPRAVFVDLEPTVIDEIRNGPYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDPVLDRIRKLSDQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIAAIKTKRSIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGIDSYEDEDEGEE
  
Component 3
Name:
Tubulin alpha-1A chain
Synonyms:
Alpha-tubulin 3 | TBA1A_HUMAN | TUBA1A | TUBA3 | Tubulin B-alpha-1 | Tubulin alpha-3 chain
Type:
Protein
Mol. Mass.:
50117.43
Organism:
Human
Description:
Q71U36
Residue:
451
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLIGQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRTIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSVEGEGEEEGEEY
  
Component 4
Name:
Tubulin alpha-1B chain
Synonyms:
Alpha-tubulin ubiquitous | TBA1B_HUMAN | TUBA1B | Tubulin K-alpha-1 | Tubulin alpha-ubiquitous chain
Type:
Protein
Mol. Mass.:
50133.43
Organism:
Human
Description:
P68363
Residue:
451
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSVEGEGEEEGEEY
  
Component 5
Name:
Tubulin alpha-1C chain
Synonyms:
Alpha-tubulin 6 | Detyrosinated tubulin alpha-1C chain | TBA1C_HUMAN | TUBA1C | TUBA6 | Tubulin alpha-1C chain | Tubulin alpha-6 chain
Type:
PROTEIN
Mol. Mass.:
49878.14
Organism:
Homo sapiens
Description:
ChEMBL_116897
Residue:
449
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLTVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRTIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAVAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGADSADGEDEGEEY
  
Component 6
Name:
Tubulin alpha-3E chain
Synonyms:
Alpha-tubulin 3E | Detyrosinated tubulin alpha-3E chain | TBA3E_HUMAN | TUBA3E | Tubulin alpha-3E chain
Type:
PROTEIN
Mol. Mass.:
49842.37
Organism:
Homo sapiens
Description:
ChEMBL_116897
Residue:
450
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVVDEVRTGTYRQLFHPEQLITGKEDAASNYARGHYTIGKEIVDLVLDRIRKLADLCTGLQGFLIFHSFGGGTGSGFASLLMERLSVDYSKKSKLEFAIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLIGQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCMLYRGDVVPKDVNAAIATIKTKRTIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLVHKFDLMYAKWAFVHWYVGEGMEEGEFSEAREDLAALEKDCEEVGVDSVEAEAEEGEAY
  
Component 7
Name:
Tubulin alpha chain-like 3
Synonyms:
TBAL3_HUMAN | TUBAL3 | Tubulin alpha chain-like 3
Type:
PROTEIN
Mol. Mass.:
49903.15
Organism:
Homo sapiens
Description:
ChEMBL_116897
Residue:
446
Sequence:
MRECLSIHIGQAGIQIGDACWELYCLEHGIQPNGVVLDTQQDQLENAKMEHTNASFDTFFCETRAGKHVPRALFVDLEPTVIDGIRTGQHRSLFHPEQLLSGKEDAANNYARGRYSVGSEVIDLVLERTRKLAEQCGGLQGFLIFRSFGGGTGSGFTSLLMERLTGEYSRKTKLEFSVYPAPRISTAVVEPYNSVLTTHSTTEHTDCTFMVDNEAVYDICHRKLGVECPSHASINRLVVQVVSSITASLRFEGPLNVDLIEFQTNLVPYPRIHFPMTAFAPIVSADKAYHEQFSVSDITTACFESSNQLVKCDPRLGKYMACCLLYRGDVVPKEVNAAIAATKSRHSVQFVDWCPTGFKVGINNRPPTVMPGGDLAKVHRSICMLSNTTAIVEAWARLDHKFDLMYAKRAFLHWYLREGMEEAEFLEAREDLAALERDYEEVAQSF
  
Component 8
Name:
Tubulin alpha-8 chain
Synonyms:
Alpha-tubulin 8 | TBA8_HUMAN | TUBA8 | TUBAL2 | Tubulin alpha chain-like 2 | Tubulin alpha-8 chain
Type:
PROTEIN
Mol. Mass.:
50075.35
Organism:
Homo sapiens
Description:
ChEMBL_116897
Residue:
449
Sequence:
MRECISVHVGQAGVQIGNACWELFCLEHGIQADGTFDAQASKINDDDSFTTFFSETGNGKHVPRAVMIDLEPTVVDEVRAGTYRQLFHPEQLITGKEDAANNYARGHYTVGKESIDLVLDRIRKLTDACSGLQGFLIFHSFGGGTGSGFTSLLMERLSLDYGKKSKLEFAIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLVTYAPIISAEKAYHEQLSVAEITSSCFEPNSQMVKCDPRHGKYMACCMLYRGDVVPKDVNVAIAAIKTKRTIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDLAALEKDYEEVGTDSFEEENEGEEF
  
Inhibitor
Name:
BDBM50517652
Synonyms:
CHEMBL4584084
Type:
Small organic molecule
Emp. Form.:
C19H32O5
Mol. Mass.:
340.4544
SMILES:
CC[C@@H]1C=CC(=O)O[C@@H]1C[C@@H](O)[C@H](C)[C@H](OC)[C@@H](C)C[C@@H]1O[C@H]1C |r,c:3|
Structure:
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