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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 44378170 |
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Molecular formula | C95H110N22O23 |
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]propanoic acid |
Molecular weight | 1928.06 |
Hydrogen bond acceptor | 24 |
Hydrogen bond donor | 24 |
XlogP | 0.3 |
Synonyms | N/A |
Inchi Key | BVOLIQCHZUAVOJ-KOOBXUPWSA-N |
Inchi ID | InChI=1S/C95H110N22O23/c1-49-94(138)117-32-14-23-75(117)92(136)115-74(42-78(123)101-46-79(124)106-72(40-76(96)121)89(133)111-70(38-57-44-100-64-22-13-11-20-62(57)64)88(132)113-71(39-58-45-98-48-103-58)82(126)102-47-80(125)116-81(51(3)118)93(137)104-49)91(135)112-69(37-56-43-99-63-21-12-10-19-61(56)63)87(131)109-66(33-52-15-6-4-7-16-52)84(128)108-67(34-53-17-8-5-9-18-53)86(130)114-73(41-77(97)122)90(134)110-68(36-55-26-30-60(120)31-27-55)85(129)107-65(83(127)105-50(2)95(139)140)35-54-24-28-59(119)29-25-54/h4-13,15-22,24-31,43-45,48-51,65-75,81,99-100,118-120H,14,23,32-42,46-47H2,1-3H3,(H2,96,121)(H2,97,122)(H,98,103)(H,101,123)(H,102,126)(H,104,137)(H,105,127)(H,106,124)(H,107,129)(H,108,128)(H,109,131)(H,110,134)(H,111,133)(H,112,135)(H,113,132)(H,114,130)(H,115,136)(H,116,125)(H,139,140)/t49-,50+,51+,65-,66-,67-,68-,69-,70-,71+,72+,73-,74+,75+,81+/m0/s1 |
PubChem CID | 44378170 |
ChEMBL | CHEMBL414131 |
IUPHAR | N/A |
BindingDB | 50289110 |
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 | 470.0 nM | , Bioorg. Med. Chem. Lett., (1996) 6:7:775 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218