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Name | CHEMBL264253 |
---|---|
Molecular formula | C51H54N8O10 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-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 | 939.039 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 11 |
XlogP | 0.8 |
Synonyms | F-F-N-Y-YW BDBM50286621 |
Inchi Key | BPHGVBPWTSMGDX-HAKKBKSLSA-N |
Inchi ID | InChI=1S/C51H54N8O10/c52-38(23-30-9-3-1-4-10-30)46(63)55-40(24-31-11-5-2-6-12-31)47(64)58-43(28-45(53)62)50(67)57-41(25-32-15-19-35(60)20-16-32)48(65)56-42(26-33-17-21-36(61)22-18-33)49(66)59-44(51(68)69)27-34-29-54-39-14-8-7-13-37(34)39/h1-22,29,38,40-44,54,60-61H,23-28,52H2,(H2,53,62)(H,55,63)(H,56,65)(H,57,67)(H,58,64)(H,59,66)(H,68,69)/t38-,40-,41-,42-,43-,44-/m0/s1 |
PubChem CID | 44371612 |
ChEMBL | CHEMBL264253 |
IUPHAR | N/A |
BindingDB | 50286621 |
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 |
---|---|---|---|---|---|
29555 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
29556 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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