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Target
Niemann-Pick C1-like 1 protein
Ligand
BDBM50258480
Substrate
n/a
Meas. Tech.
ChEMBL_500766 (CHEMBL970545)
IC50
146000±n/a nM
Citation
 McMasters, DR; Garcia-Calvo, M; Maiorov, V; McCann, ME; Meurer, RD; Bull, HG; Lisnock, J; Howell, KL; Devita, RJ Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening. Bioorg Med Chem Lett 19:2965-8 (2009) [PubMed]  Article 
Target
Name:
Niemann-Pick C1-like 1 protein
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
145587.33
Organism:
Macaca mulatta
Description:
ChEMBL_500766
Residue:
1332
Sequence:
MAEAGLRGWLLWALLLHLAQSEPYTPIHQPGYCAFYDECGKNPELSGGLMTLSNVSCLSNTPARNITGDHLILLQRICPRLYTGPNTQACCSAKQLVSLEASLSITKALLTRCPACSDNFVSLHCHNTCSPNQSLFINVTRVAQLGAGQLPAVVAYEAFYQHSFAEQSYDSCSRVHIPAAATLAVGSMCGVYGSALCNAQRWLNFQGDTGNGLAPLDITFHLLEPGQAVGSGIQPLNEGVARCNESQGDDAVACSCQDCAASCPAIAHPQALDSTFRLGRMPGGLVLIIILCSVFTVVAILLVGLRVAPTRDKSKTVDPKKGTSLSDKLSFSTHTLLGQFFQGWGTWVASWPLTILVLSVIPVVVLAAGLVFTELTTDPVELWSAPNSQARSEKAFHDQHFGPFFRTNQVILTAPNRSSYRYDSLLLGPKNFSGILDLDLLLELLELQERLRHLQVWSPEAQRNISLQHICYAPLNPDNTSLSDCCINSLLQYFQNNRTLLLLTANQTLMGQTSQVDWRDHFLYCANAPLTFKDGTALALSCMADYGAPVFPFLAVGGYKGKDYSEAEALIMTFSLNNYPAGDPRLAQAQLWEEAFLEEMRAFQRRTAGKFQVTFMAERSLEDEINRTTAEDLPIFATSYIVIFLYISLALGSYSSWSRVMVDSKATLGLGGVAVVLGAVMAAMGFFSYLGIRSSLIILQVVPFLVLSVGADNIFIFVLEYQRLPRRPGEPREVHIGRALGRVAPSMLLCSLSEAICFFLGALTPMPAVRTFALTSGLAVVLDFLLQMSAFVALLSLDSKRQEASRLDVCCCVKPRELPLPGQGEGFLLGLFRKAYVPFLLHWITRGVVLLLFLALFGVSLYYMCHISVGLDQELALPKDSYLLDYFLFLNRYFETGAPVYFVTTSGYNFSSEAGMNAICSSAGCNNFSFTQKIQYATEFPEQSYLAIPASSWVDDFIDWLTPSSCCRLYISGPNKDQFCPSTVNSLNCLKNCLSITMGSVRPSVEQFYKYLPWFLNDRPNIKCPKGGLGAYSTSVNLTSDGQVLASRFMAYHKPLKNSQDYTEALRAARELAANITADLRKVPGTDPAFEVFPYTVTNVFYEQYLTILPEGLFMLSLCLVPTFAVCCLLLGLDLRSGLLNLLSIIMILVDTVGFMALWGISYNAVSLINLVSAVGMSVEFVSHITRSFAISTKPTRLERAKEATISMGSAVFAGVAMTNLPGILVLGLAKAQLIQIFFFRLNLLITLLGLLHGLVFLPVILSYVGPDINPALALEQKLAEEAAAAAIAASYPNHPSRVSTADNIYVNHSFEGSIKGAGAVSNFLPNNGRQF
  
Inhibitor
Name:
BDBM50258480
Synonyms:
((2S,4S)-1-benzoyl-4-phenylpyrrolidin-2-yl)(spiro[indene-1,4'-piperidine]-1'-yl)methanone | CHEMBL466849
Type:
Small organic molecule
Emp. Form.:
C31H30N2O2
Mol. Mass.:
462.5821
SMILES:
O=C([C@@H]1C[C@H](CN1C(=O)c1ccccc1)c1ccccc1)N1CCC2(CC1)C=Cc1ccccc21 |r,c:31|
Structure:
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