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Name | Endothelin receptor type B |
---|---|
Species | Bos taurus (Bovine) |
Gene | EDNRB |
Synonym | Endothelin receptor non-selective type ET-B ET-BR |
Disease | N/A for non-human GPCRs |
Length | 441 |
Amino acid sequence | MQPLPSLCGRALVALILACGVAGIQAEEREFPPAGATQPLPGTGEMMETPTETSWPGRSNASDPRSSATPQIPRGGRMAGIPPRTPPPCDGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINTYKLLAKDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAVGFDIITSDHIGNKLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITALFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQHDPRRCEFLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS |
UniProt | P28088 |
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 | CHEMBL4401 |
IUPHAR | N/A |
DrugBank | N/A |
Name | Compound [S15]ET-1 |
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Molecular formula | C65H89N13O15 |
IUPAC name | (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-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 | 1292.5 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 16 |
XlogP | 2.0 |
Synonyms | BDBM50289651 D01YIX CHEMBL407188 |
Inchi Key | OBEIVYFBZMBARX-QJBWIXBOSA-N |
Inchi ID | InChI=1S/C65H89N13O15/c1-9-36(7)54(63(90)75-50(65(92)93)27-40-30-68-44-19-15-14-18-43(40)44)78-64(91)55(37(8)10-2)77-60(87)49(29-52(81)82)73-56(83)45(24-34(3)4)70-59(86)48(28-41-31-67-33-69-41)72-61(88)51(32-79)76-58(85)46(25-38-16-12-11-13-17-38)71-57(84)47(74-62(89)53(66)35(5)6)26-39-20-22-42(80)23-21-39/h11-23,30-31,33-37,45-51,53-55,68,79-80H,9-10,24-29,32,66H2,1-8H3,(H,67,69)(H,70,86)(H,71,84)(H,72,88)(H,73,83)(H,74,89)(H,75,90)(H,76,85)(H,77,87)(H,78,91)(H,81,82)(H,92,93)/t36-,37-,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-/m0/s1 |
PubChem CID | 44293209 |
ChEMBL | CHEMBL407188 |
IUPHAR | N/A |
BindingDB | 50289651 |
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 | 1000.0 nM | , Bioorg. Med. Chem. Lett., (1997) 7:13:1715 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218