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Name | Endothelin-1 receptor |
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Species | Sus scrofa (Pig) |
Gene | EDNRA |
Synonym | Endothelin receptor type A {ECO:0000250|UniProtKB:P25101} ET-A ET-AR |
Disease | N/A for non-human GPCRs |
Length | 427 |
Amino acid sequence | METFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN |
UniProt | Q29010 |
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 | CHEMBL4130 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL342615 |
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Molecular formula | C30H42N6O8S |
IUPAC name | [(3R,6S,9R,12S,15R)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]methanesulfonic acid |
Molecular weight | 646.76 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 6 |
XlogP | 1.6 |
Synonyms | [(5R,8S,11R,14S,16aR)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-methanesulfonic acid BDBM50029351 |
Inchi Key | BDGDGFUNKMWECN-MQZWXTIWSA-N |
Inchi ID | InChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1 |
PubChem CID | 44357212 |
ChEMBL | CHEMBL342615 |
IUPHAR | N/A |
BindingDB | 50029351 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 21.0 nM | PMID7473559 | BindingDB,ChEMBL |
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