Reaction Details Report a problem with these data
Target
Zinc finger protein GLI1
Ligand
BDBM50612863
Substrate
n/a
Meas. Tech.
ChEMBL_2290234
IC50
700±n/a nM
Citation
 Feng, Z; Zhu, S; Li, W; Yao, M; Song, H; Wang, RB Current approaches and strategies to identify Hedgehog signaling pathway inhibitors for cancer therapy. Eur J Med Chem 244:0 (2022) [PubMed] 
Target
Name:
Zinc finger protein GLI1
Synonyms:
GLI | GLI1 | GLI1_HUMAN
Type:
PROTEIN
Mol. Mass.:
117920.33
Organism:
Homo sapiens (Human)
Description:
ChEMBL_537531
Residue:
1106
Sequence:
MFNSMTPPPISSYGEPCCLRPLPSQGAPSVGTEGLSGPPFCHQANLMSGPHSYGPARETNSCTEGPLFSSPRSAVKLTKKRALSISPLSDASLDLQTVIRTSPSSLVAFINSRCTSPGGSYGHLSIGTMSPSLGFPAQMNHQKGPSPSFGVQPCGPHDSARGGMIPHPQSRGPFPTCQLKSELDMLVGKCREEPLEGDMSSPNSTGIQDPLLGMLDGREDLEREEKREPESVYETDCRWDGCSQEFDSQEQLVHHINSEHIHGERKEFVCHWGGCSRELRPFKAQYMLVVHMRRHTGEKPHKCTFEGCRKSYSRLENLKTHLRSHTGEKPYMCEHEGCSKAFSNASDRAKHQNRTHSNEKPYVCKLPGCTKRYTDPSSLRKHVKTVHGPDAHVTKRHRGDGPLPRAPSISTVEPKREREGGPIREESRLTVPEGAMKPQPSPGAQSSCSSDHSPAGSAANTDSGVEMTGNAGGSTEDLSSLDEGPCIAGTGLSTLRRLENLRLDQLHQLRPIGTRGLKLPSLSHTGTTVSRRVGPPVSLERRSSSSSSISSAYTVSRRSSLASPFPPGSPPENGASSLPGLMPAQHYLLRARYASARGGGTSPTAASSLDRIGGLPMPPWRSRAEYPGYNPNAGVTRRASDPAQAADRPAPARVQRFKSLGCVHTPPTVAGGGQNFDPYLPTSVYSPQPPSITENAAMDARGLQEEPEVGTSMVGSGLNPYMDFPPTDTLGYGGPEGAAAEPYGARGPGSLPLGPGPPTNYGPNPCPQQASYPDPTQETWGEFPSHSGLYPGPKALGGTYSQCPRLEHYGQVQVKPEQGCPVGSDSTGLAPCLNAHPSEGPPHPQPLFSHYPQPSPPQYLQSGPYTQPPPDYLPSEPRPCLDFDSPTHSTGQLKAQLVCNYVQSQQELLWEGGGREDAPAQEPSYQSPKFLGGSQVSPSRAKAPVNTYGPGFGPNLPNHKSGSYPTPSPCHENFVVGANRASHRAAAPPRLLPPLPTCYGPLKVGGTNPSCGHPEVGRLGGGPALYPPPEGQVCNPLDSLDLDNTQLDFVAILDEPQGLSPPPSHDQRGSSGHTPPPSGPPNMAVGNMSVLLRSLPGETEFLNSSA
  
Inhibitor
Name:
BDBM50612863
Synonyms:
CHEMBL5281322
Type:
Small organic molecule
Emp. Form.:
C28H31ClO10
Mol. Mass.:
562.993
SMILES:
[H][C@@]12C(=O)[C@]34O[C@@]11[C@](O)(CC[C@@]5([H])[C@@]3([H])C[C@@H](O)[C@@]3(Cl)CC=CC(=O)[C@]53C)C(=O)O[C@@]1(C)[C@@]1([H])C[C@]2(C)[C@@]([H])(CO4)C(=O)O1 |r,c:23,THB:3:2:6.5:37.35.40.39|
Structure:
Search PDB for entries with ligand similarity: