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Name | Endothelin receptor type B |
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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 | CID 44378146 |
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Molecular formula | C101H114N22O24 |
IUPAC name | (2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,6R,12R,15S,18R,25R,28R)-18-(2-amino-2-oxoethyl)-6-[(1R)-1-hydroxyethyl]-12-(1H-imidazol-4-ylmethyl)-15-(1H-indol-3-ylmethyl)-3-methyl-2,5,8,11,14,17,20,23,27-nonaoxo-1,4,7,10,13,16,19,22,26-nonazabicyclo[26.3.0]hentriacontane-25-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
Molecular weight | 2020.15 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 25 |
XlogP | 1.6 |
Synonyms | N/A |
Inchi Key | MYKVZRYMXGTARG-RWGFVQOJSA-N |
Inchi ID | InChI=1S/C101H114N22O24/c1-53-100(145)123-35-13-22-81(123)98(143)120-79(46-84(130)107-50-85(131)111-77(44-82(102)128)95(140)116-75(42-61-48-106-69-21-12-10-19-67(61)69)94(139)118-76(43-62-49-104-52-109-62)88(133)108-51-86(132)122-87(54(2)124)99(144)110-53)97(142)117-74(41-60-47-105-68-20-11-9-18-66(60)68)93(138)114-70(36-55-14-5-3-6-15-55)89(134)112-71(37-56-16-7-4-8-17-56)91(136)119-78(45-83(103)129)96(141)115-72(38-57-23-29-63(125)30-24-57)90(135)113-73(39-58-25-31-64(126)32-26-58)92(137)121-80(101(146)147)40-59-27-33-65(127)34-28-59/h3-12,14-21,23-34,47-49,52-54,70-81,87,105-106,124-127H,13,22,35-46,50-51H2,1-2H3,(H2,102,128)(H2,103,129)(H,104,109)(H,107,130)(H,108,133)(H,110,144)(H,111,131)(H,112,134)(H,113,135)(H,114,138)(H,115,141)(H,116,140)(H,117,142)(H,118,139)(H,119,136)(H,120,143)(H,121,137)(H,122,132)(H,146,147)/t53-,54+,70-,71-,72-,73-,74-,75-,76+,77+,78-,79+,80+,81+,87+/m0/s1 |
PubChem CID | 44378146 |
ChEMBL | CHEMBL407422 |
IUPHAR | N/A |
BindingDB | 50289117 |
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 | 45.0 nM | , Bioorg. Med. Chem. Lett., (1996) 6:7:775 | BindingDB,ChEMBL |
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