You can:
| Name | CHEMBL72891 |
|---|---|
| Molecular formula | C31H46BrN5O5S |
| IUPAC name | 2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-propylsulfanylpropanoic acid |
| Molecular weight | 680.703 |
| Hydrogen bond acceptor | 6 |
| Hydrogen bond donor | 5 |
| XlogP | 6.0 |
| Synonyms | BDBM50051395 2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-propionylamino)-3-propylsulfanyl-propionic acid |
| Inchi Key | AEOGPKLNXHHMSN-LQLVQKTKSA-N |
| Inchi ID | InChI=1S/C31H46BrN5O5S/c1-6-14-43-17-26(30(40)41)35-29(39)25(16-22-21-12-7-8-13-23(21)33-27(22)32)34-28(38)24(15-18(2)3)36-31(42)37-19(4)10-9-11-20(37)5/h7-8,12-13,18-20,24-26,33H,6,9-11,14-17H2,1-5H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t19-,20+,24?,25-,26?/m1/s1 |
| PubChem CID | 44315007 |
| ChEMBL | CHEMBL72891 |
| IUPHAR | N/A |
| BindingDB | 50051395 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 3687 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
| 3686 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
zhanglab
zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417