Reaction Details Report a problem with these data
Target
Cholesterol side-chain cleavage enzyme, mitochondrial
Ligand
BDBM50600660
Substrate
n/a
Meas. Tech.
ChEMBL_2234669 (CHEMBL5148441)
IC50
5700±n/a nM
Citation
 Wu, T; Salim, AA; Khalil, ZG; Bernhardt, PV; Capon, RJ Glenthmycins A-M: Macrocyclic Spirotetronate Polyketide Antibacterials from the Australian Pasture Plant-Derived  J Nat Prod 85:1641-1657 (2022) [PubMed] 
Target
Name:
Cholesterol side-chain cleavage enzyme, mitochondrial
Synonyms:
CP11A_RAT | Cyp11a | Cyp11a-1 | Cyp11a1 | Cytochrome P450 11A1
Type:
PROTEIN
Mol. Mass.:
60603.33
Organism:
Rattus norvegicus
Description:
ChEMBL_50353
Residue:
526
Sequence:
MLAKGLCLRSVLVKSCQPFLSPVWQGPGLATGNGAGISSTNSPRSFNEIPSPGDNGWINLYHFLRENGTHRIHYHHMQNFQKYGPIYREKLGNMESVYILDPKDAATLFSCEGPNPERYLVPPWVAYHQYYQRPIGVLFKSSDAWRKDRIVLNQEVMAPDSIKNFVPLLEGVAQDFIKVLHRRIKQQNSGKFSGDISDDLFRFAFESITSVVFGERLGMLEEIVDPESQRFIDAVYQMFHTSVPMLNMPPDLFRLFRTKTWKDHAAAWDVIFSKADEYTQNFYWDLRQKRDFSKYPGVLYSLLGGNKLPFKNIQANITEMLAGGVDTTSMTLQWNLYEMAHNLKVQEMLRAEVLAARRQAQGDMAKMVQLVPLLKASIKETLRLHPISVTLQRYIVNDLVLRNYKIPAKTLVQVASYAMGRESSFFPNPNKFDPTRWLEKSQNTTHFRYLGFGWGVRQCLGRRIAELEMTIFLINVLENFRIEVQSIRDVGTKFNLILMPEKPIFFNFQPLKQDLGSTMPRKGDTV
  
Inhibitor
Name:
BDBM50600660
Synonyms:
CHEMBL5187573
Type:
Small organic molecule
Emp. Form.:
C49H63NO13
Mol. Mass.:
874.0234
SMILES:
[H][C@@]12C=C([C@H](C)C[C@]11OC(=O)C(=C1O)C(=O)[C@@]1(C)[C@]3([H])[C@@H](C)CC[C@H](O[C@@H]4O[C@H](C)[C@@H](NC(=O)c5c(C)cc(OC)cc5O)[C@@](C)(O)[C@H]4O)[C@@]3([H])C=C(C)[C@@]1([H])\C(C)=C\CC\C(C)=C\2)C(O)=O |r,c:2,12,t:56,63,68|
Structure:
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