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Name | CHEMBL414168 |
---|---|
Molecular formula | C62H64N10O11 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-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-(1H-indol-3-yl)propanoic acid |
Molecular weight | 1125.25 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 13 |
XlogP | 2.6 |
Synonyms | BDBM50289657 |
Inchi Key | YYFTVELAOGNGHT-YLMXJMPESA-N |
Inchi ID | InChI=1S/C62H64N10O11/c63-46(31-40-34-65-47-17-9-7-15-44(40)47)56(76)67-49(27-36-11-3-1-4-12-36)57(77)68-50(28-37-13-5-2-6-14-37)59(79)71-53(33-55(64)75)61(81)70-51(29-38-19-23-42(73)24-20-38)58(78)69-52(30-39-21-25-43(74)26-22-39)60(80)72-54(62(82)83)32-41-35-66-48-18-10-8-16-45(41)48/h1-26,34-35,46,49-54,65-66,73-74H,27-33,63H2,(H2,64,75)(H,67,76)(H,68,77)(H,69,78)(H,70,81)(H,71,79)(H,72,80)(H,82,83)/t46-,49-,50-,51-,52-,53-,54-/m0/s1 |
PubChem CID | 44293229 |
ChEMBL | CHEMBL414168 |
IUPHAR | N/A |
BindingDB | 50289657 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
422180 | Endothelin receptor type B | P28088 | EDNRB | Bos taurus (Bovine) | 441 |
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