Ki Summary

Reaction Details

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Target

Liver carboxylesterase 1

Ligand

BDBM50233538

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1561177 (CHEMBL3777370)

IC50

20970±n/a nM

Citation

Zou, LW; Li, YG; Wang, P; Zhou, K; Hou, J; Jin, Q; Hao, DC; Ge, GB; Yang, L Design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterase 2. Eur J Med Chem112:280-8 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Liver carboxylesterase 1

Name:

Liver carboxylesterase 1

Synonyms:

Acyl coenzyme A:cholesterol acyltransferase | Acyl-CoA: cholesterol acyltransferase (ACAT) | CES1 | CES2 | EST1_HUMAN | SES1 | Serine hydrolase (CES1)

Type:

Protein

Mol. Mass.:

62520.83

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

567

Sequence:

MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPL
GPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLN
IYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLF
HRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLK
MKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIP
MQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDL
IADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPF
LKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLK
DKEVAFWTNLFAKKAVEKPPQTEHIEL

BDBM50233538

n/a

Name

BDBM50233538

Synonyms:

18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoolean-12-en-30-oic acid | CHEMBL230006 | US11660306, Example 18beta Glycyrrhetinic acid | glycyrrhetinic acid

Type

Small organic molecule

Emp. Form.

C30H46O4

Mol. Mass.

470.6838

SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|

Structure