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Name | CHEMBL2028841 |
---|---|
Molecular formula | C30H42N8O5 |
IUPAC name | 2-[3-[(1R,11S,14S,20S)-20-methyl-2,12,15,18,21-pentaoxo-3,13,16,19,22-pentazapentacyclo[20.8.0.03,11.04,9.024,29]triaconta-24,26,28-trien-14-yl]propyl]guanidine |
Molecular weight | 594.717 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 0.1 |
Synonyms | BDBM50407807 |
Inchi Key | UVXIBPIDZMHKGA-PCYKSRCGSA-N |
Inchi ID | InChI=1S/C30H42N8O5/c1-17-28(42)37-16-20-9-3-2-7-18(20)13-24(37)29(43)38-22-11-5-4-8-19(22)14-23(38)27(41)36-21(10-6-12-33-30(31)32)26(40)34-15-25(39)35-17/h2-3,7,9,17,19,21-24H,4-6,8,10-16H2,1H3,(H,34,40)(H,35,39)(H,36,41)(H4,31,32,33)/t17-,19?,21-,22?,23-,24+/m0/s1 |
PubChem CID | 70687850 |
ChEMBL | CHEMBL2028841 |
IUPHAR | N/A |
BindingDB | 50407807 |
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 |
---|---|---|---|---|---|
346986 | B2 bradykinin receptor | Q28642 | BDKRB2 | Oryctolagus cuniculus (Rabbit) | 367 |
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