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Name | Endothelin-1 receptor |
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Species | Homo sapiens (Human) |
Gene | EDNRA |
Synonym | ET-A ETA-R hET-AR ETA receptor ENDOR [ Show all ] |
Disease | Vasospasm following subarachnoid hemorrhage Hormone refractory prostate cancer Hormone resistant prostate cancer Hypertension Hypotension [ Show all ] |
Length | 427 |
Amino acid sequence | METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN |
UniProt | P25101 |
Protein Data Bank | N/A |
GPCR-HGmod model | P25101 |
3D structure model | This predicted structure model is from GPCR-EXP P25101. |
BioLiP | N/A |
Therapeutic Target Database | T23499 |
ChEMBL | CHEMBL252 |
IUPHAR | 219 |
DrugBank | BE0000521 |
Name | CHEMBL172030 |
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Molecular formula | C31H32N6O7S3 |
IUPAC name | N-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl]thiophene-2-sulfonamide |
Molecular weight | 696.812 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 2 |
XlogP | 5.2 |
Synonyms | Thiophene-2-sulfonic acid {2-[6-(4-tert-butyl-benzenesulfonylamino)-5-(2-methoxy-phenoxy)-[2,2'']bipyrimidinyl-4-yloxy]-ethyl}-amide BDBM50124429 N-[2-[5-(2-Methoxyphenoxy)6-(4-tert-butylphenylsulfonylamino)-2,2'-bipyrimidine-4-yloxy]ethyl]thiophene-2-sulfonamide |
Inchi Key | ASUNSLBCCFVKJD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H32N6O7S3/c1-31(2,3)21-12-14-22(15-13-21)46(38,39)37-27-26(44-24-10-6-5-9-23(24)42-4)30(36-29(35-27)28-32-16-8-17-33-28)43-19-18-34-47(40,41)25-11-7-20-45-25/h5-17,20,34H,18-19H2,1-4H3,(H,35,36,37) |
PubChem CID | 9853077 |
ChEMBL | CHEMBL172030 |
IUPHAR | N/A |
BindingDB | 50124429 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 64.0 nM | PMID12617928 | BindingDB,ChEMBL |
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