Ki Summary

Reaction Details

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Target

Endothelin-1 receptor

Ligand

BDBM50279789

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_63366 (CHEMBL676102)

0.350000±n/a nM

Citation

Hunt, JT; Lee, VG; Stein, PD; Hedberg, A; Liu, EC; McMullen, D; Moreland, S Structure-activity relationships of monocyclic endothelin analogs Bioorg Med Chem Lett1:33-38 (1991) Article

More Info.:

Get all data from this article, Assay Method

Endothelin-1 receptor

Name:

Endothelin-1 receptor

Synonyms:

EDNRA_RAT | ENDOTHELIN A | Ednra | Endothelin receptor | Endothelin-1 receptor

Type:

Enzyme Catalytic Domain

Mol. Mass.:

48256.91

Organism:

RAT

Description:

ENDOTHELIN A EDNRA RAT::P26684

Residue:

426

Sequence:

MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALP
SNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIA
SLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALS
VDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCM
LNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQ
RREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATM
NSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSS
HKDSMN

BDBM50279789

n/a

Name

BDBM50279789

Synonyms:

CHEMBL409577 | Endothelin derivative

Type

Small organic molecule

Emp. Form.

C110H163N25O32S2

Mol. Mass.

2411.75

SMILES

CCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC1=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

Structure