Ki Summary

Reaction Details

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Target

Cholesterol side-chain cleavage enzyme, mitochondrial

Ligand

BDBM50476074

Substrate

n/a

Meas. Tech.

ChEMBL_424409 (CHEMBL910687)

IC50

445±n/a nM

Citation

Tandon, VK; Maurya, HK; Yadav, DB; Tripathi, A; Kumar, M; Shukla, PK Naphtho[2,3-b][1,4]-thiazine-5,10-diones and 3-substituted-1,4-dioxo-1,4-dihydronaphthalen-2-yl-thioalkanoate derivatives: synthesis and biological evaluation as potential antibacterial and antifungal agents. Bioorg Med Chem Lett 16:5883-7 (2006) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

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:

BDBM50476074

Synonyms:

Gentamicin | SCH-9724 | Uromycine

Type:

Small organic molecule

Emp. Form.:

C60H123N15O21

Mol. Mass.:

1390.7065

SMILES:

[H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC |r|

Structure: