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Name | Endothelin-1 receptor |
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Species | Mus musculus (Mouse) |
Gene | Ednra |
Synonym | ETA receptor ET-AR ET-A endothelin-1 receptor Endothelin receptor type A {ECO:0000312|MGI:MGI:105923} [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 427 |
Amino acid sequence | MSIFCLAAYFWLTMVGGVMADNPERYSANLSSHMEDFTPFPGTEINFLGTTHRPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGELHRTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNNHNTERSSHKDSMN |
UniProt | Q61614 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2286 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL150719 |
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Molecular formula | C45H61N9O10 |
IUPAC name | (3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-aminopentanoyl]amino]-4-[[(2S,3R)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid |
Molecular weight | 888.036 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 11 |
XlogP | 0.6 |
Synonyms | BDBM50281576 (S)-3-{(S)-2-[(R)-2-Acetylamino-3-(1H-indol-3-yl)-propionylamino]-5-amino-pentanoylamino}-N-((1S,2R)-1-{(1S,2R)-1-[(S)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid |
Inchi Key | ZMZJOZFSFHZWRN-FEBBOSPPSA-N |
Inchi ID | InChI=1S/C45H61N9O10/c1-6-24(3)38(43(61)52-36(45(63)64)20-28-23-48-32-16-11-9-14-30(28)32)54-44(62)39(25(4)7-2)53-42(60)35(21-37(56)57)51-40(58)33(17-12-18-46)50-41(59)34(49-26(5)55)19-27-22-47-31-15-10-8-13-29(27)31/h8-11,13-16,22-25,33-36,38-39,47-48H,6-7,12,17-21,46H2,1-5H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t24-,25-,33+,34-,35+,36+,38+,39+/m1/s1 |
PubChem CID | 44366033 |
ChEMBL | CHEMBL150719 |
IUPHAR | N/A |
BindingDB | 50281576 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 15.0 nM | , Bioorg. Med. Chem. Lett., (1993) 3:4:519 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218