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Name | CHEMBL366544 |
---|---|
Molecular formula | C30H42N6O4 |
IUPAC name | 5-methyl-2-[(1R)-2-(1-methylindol-3-yl)-1-[[(2S)-4-methyl-2-[(2-methylcyclohexyl)carbamoylamino]pentanoyl]amino]ethyl]-1H-imidazole-4-carboxylic acid |
Molecular weight | 550.704 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 5 |
XlogP | 4.7 |
Synonyms | SCHEMBL9110860 5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(2-methyl-cyclohexyl)-ureido]-pentanoylamino}-ethyl)-1H-imidazole-4-carboxylic acid BDBM50050001 |
Inchi Key | BWWBBAYBFCKZRO-KJMRNSNESA-N |
Inchi ID | InChI=1S/C30H42N6O4/c1-17(2)14-24(34-30(40)33-22-12-8-6-10-18(22)3)28(37)32-23(27-31-19(4)26(35-27)29(38)39)15-20-16-36(5)25-13-9-7-11-21(20)25/h7,9,11,13,16-18,22-24H,6,8,10,12,14-15H2,1-5H3,(H,31,35)(H,32,37)(H,38,39)(H2,33,34,40)/t18?,22?,23-,24+/m1/s1 |
PubChem CID | 44385621 |
ChEMBL | CHEMBL366544 |
IUPHAR | N/A |
BindingDB | 50050001 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
34786 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
34787 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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