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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 | CHEMBL151361 |
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Molecular formula | C42H56N8O11 |
IUPAC name | (3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-amino-4-oxobutanoyl]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 | 848.955 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | 1.0 |
Synonyms | (S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-3-carbamoyl-propionylamino]-N-((1S,2R)-1-{(1S,2R)-1-[(S)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid BDBM50281582 |
Inchi Key | IOFYRDUZVPKZHJ-OTHNWLNFSA-N |
Inchi ID | InChI=1S/C42H56N8O11/c1-6-22(3)35(40(58)48-32(42(60)61)18-26-21-44-28-16-12-11-15-27(26)28)50-41(59)36(23(4)7-2)49-39(57)31(20-34(53)54)47-38(56)30(19-33(43)52)46-37(55)29(45-24(5)51)17-25-13-9-8-10-14-25/h8-16,21-23,29-32,35-36,44H,6-7,17-20H2,1-5H3,(H2,43,52)(H,45,51)(H,46,55)(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,53,54)(H,60,61)/t22-,23-,29-,30+,31+,32+,35+,36+/m1/s1 |
PubChem CID | 44365869 |
ChEMBL | CHEMBL151361 |
IUPHAR | N/A |
BindingDB | 50281582 |
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 | 75.0 nM | , Bioorg. Med. Chem. Lett., (1993) 3:4:519 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218