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Name | Endothelin receptor type B |
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Species | Homo sapiens (Human) |
Gene | EDNRB |
Synonym | endothelin B receptor HSCR2 HSCR ETB receptor ET-BR [ Show all ] |
Disease | Arrhythmia Hypertension Pulmonary arterial hypertension Solid tumours Cancer [ Show all ] |
Length | 442 |
Amino acid sequence | MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS |
UniProt | P24530 |
Protein Data Bank | 6igl, 6igk, 5xpr, 5x93 |
GPCR-HGmod model | P24530 |
3D structure model | This structure is from PDB ID 6igl. |
BioLiP | BL0388813, BL0433639, BL0433638, BL0388896, BL0388814 |
Therapeutic Target Database | T92828 |
ChEMBL | CHEMBL1785 |
IUPHAR | 220 |
DrugBank | BE0000043 |
Name | CHEMBL94918 |
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Molecular formula | C24H25N3O6S |
IUPAC name | 2-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-6-oxopyridazin-1-yl)-N-(4-propan-2-ylphenyl)sulfonylacetamide |
Molecular weight | 483.539 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | 2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-4,6-dimethylpyridazin-3-on-2-yl)N-(4-isopropylphenylsulfonyl)acetamide N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-dimethyl-6-oxo-6H-pyridazin-1-yl)-acetyl]-4-isopropyl-benzenesulfonamide ACOIUSQYQHOULG-UHFFFAOYSA-N 2-(1,3-benzodioxol-5-yl)-2-(4,6-dimethyl-2,3-dihydropyridazin-3-on-2-yl) N-(4-isopropylphenylsulfonyl)acetamide SCHEMBL802448 [ Show all ] |
Inchi Key | ACOIUSQYQHOULG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H25N3O6S/c1-14(2)17-5-8-19(9-6-17)34(30,31)26-23(28)22(27-24(29)15(3)11-16(4)25-27)18-7-10-20-21(12-18)33-13-32-20/h5-12,14,22H,13H2,1-4H3,(H,26,28) |
PubChem CID | 9848132 |
ChEMBL | CHEMBL94918 |
IUPHAR | N/A |
BindingDB | 50290949 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 1584.89 nM | Bioorg. Med. Chem. Lett., (1997) 7:3:275 | ChEMBL |
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