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Target
NPC1-like intracellular cholesterol transporter 1
Ligand
BDBM50300992
Substrate
n/a
Meas. Tech.
ChEMBL_598107 (CHEMBL1038289)
IC50
44±n/a nM
Citation
 Simeone, JP; Braun, MP; Leone, JF; Lin, P; DeVita, RJ; Garcia-Calvo, M; Bull, HG; Lisnock, J; Dean, DC Multiple strategies for the preparation of a sulfur-35 labeled NPC1L1 radioligand. Bioorg Med Chem Lett 19:5033-6 (2009) [PubMed]  Article 
Target
Name:
NPC1-like intracellular cholesterol transporter 1
Synonyms:
NPCL1_MOUSE | Niemann-Pick C1-like protein 1 | Npc1l1
Type:
PROTEIN
Mol. Mass.:
147132.16
Organism:
Mus musculus
Description:
ChEMBL_598107
Residue:
1333
Sequence:
MAAAWQGWLLWALLLNSAQGELYTPTHKAGFCTFYEECGKNPELSGGLTSLSNISCLSNTPARHVTGDHLALLQRVCPRLYNGPNDTYACCSTKQLVSLDSSLSITKALLTRCPACSENFVSIHCHNTCSPDQSLFINVTRVVQRDPGQLPAVVAYEAFYQRSFAEKAYESCSRVRIPAAASLAVGSMCGVYGSALCNAQRWLNFQGDTGNGLAPLDITFHLLEPGQALADGMKPLDGKITPCNESQGEDSAACSCQDCAASCPVIPPPPALRPSFYMGRMPGWLALIIIFTAVFVLLSVVLVYLRVASNRNKNKTAGSQEAPNLPRKRRFSPHTVLGRFFESWGTRVASWPLTVLALSFIVVIALSVGLTFIELTTDPVELWSAPKSQARKEKAFHDEHFGPFFRTNQIFVTAKNRSSYKYDSLLLGPKNFSGILSLDLLQELLELQERLRHLQVWSHEAQRNISLQDICYAPLNPHNTSLTDCCVNSLLQYFQNNHTLLLLTANQTLNGQTSLVDWKDHFLYCANAPLTYKDGTALALSCIADYGAPVFPFLAVGGYQGTDYSEAEALIITFSINNYPADDPRMAHAKLWEEAFLKEMQSFQRSTADKFQIAFSAERSLEDEINRTTIQDLPVFAISYLIVFLYISLALGSYSRWSRVAVDSKATLGLGGVAVVLGAVVAAMGFYSYLGVPSSLVIIQVVPFLVLAVGADNIFIFVLEYQRLPRMPGEQREAHIGRTLGSVAPSMLLCSLSEAICFFLGALTSMPAVRTFALTSGLAIIFDFLLQMTAFVALLSLDSKRQEASRPDVVCCFSSRNLPPPKQKEGLLLCFFRKIYTPFLLHRFIRPVVLLLFLVLFGANLYLMCNISVGLDQDLALPKDSYLIDYFLFLNRYLEVGPPVYFDTTSGYNFSTEAGMNAICSSAGCESFSLTQKIQYASEFPNQSYVAIAASSWVDDFIDWLTPSSSCCRIYTRGPHKDEFCPSTDTSFNCLKNCMNRTLGPVRPTTEQFHKYLPWFLNDTPNIRCPKGGLAAYRTSVNLSSDGQIIASQFMAYHKPLRNSQDFTEALRASRLLAANITAELRKVPGTDPNFEVFPYTISNVFYQQYLTVLPEGIFTLALCFVPTFVVCYLLLGLDIRSGILNLLSIIMILVDTIGLMAVWGISYNAVSLINLVTAVGMSVEFVSHITRSFAVSTKPTRLERAKDATIFMGSAVFAGVAMTNFPGILILGFAQAQLIQIFFFRLNLLITLLGLLHGLVFLPVVLSYLGPDVNQALVLEEKLATEAAMVSEPSCPQYPFPADANTSDYVNYGFNPEFIPEINAASSSLPKSDQKF
  
Inhibitor
Name:
BDBM50300992
Synonyms:
(2S,3S,4S,5R,6S)-6-(4-{(2S,3R)-3-[(S)-3-(4-Fluoro-phenyl)-3-hydroxy-propyl]-1-[4-(3-methane[35S]sulfonylamino-prop-1-ynyl)-phenyl]-4-oxo-azetidin-2-yl}-phenoxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid | CHEMBL578400
Type:
Small organic molecule
Emp. Form.:
C34H35FN2O11S
Mol. Mass.:
698.712
SMILES:
CS(=O)(=O)NCC#Cc1ccc(cc1)N1[C@@H]([C@@H](CC[C@H](O)c2ccc(F)cc2)C1=O)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: