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Name | CHEMBL320458 |
---|---|
Molecular formula | C41H70N10O8 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-2-[12-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]dodecanoylamino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
Molecular weight | 831.073 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | -1.0 |
Synonyms | [12-(Lys-Arg-Amino-)dodecanoyl]-Ser-Pro-Phe-OH |
Inchi Key | HEYQLRQWKZCACH-LJADHVKFSA-N |
Inchi ID | InChI=1S/C41H70N10O8/c42-23-13-12-19-30(43)36(54)49-31(20-15-25-47-41(44)45)37(55)46-24-14-7-5-3-1-2-4-6-11-22-35(53)48-33(28-52)39(57)51-26-16-21-34(51)38(56)50-32(40(58)59)27-29-17-9-8-10-18-29/h8-10,17-18,30-34,52H,1-7,11-16,19-28,42-43H2,(H,46,55)(H,48,53)(H,49,54)(H,50,56)(H,58,59)(H4,44,45,47)/t30-,31-,32-,33-,34-/m0/s1 |
PubChem CID | 10373299 |
ChEMBL | CHEMBL320458 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
113243 | B1 bradykinin receptor | P97583 | Bdkrb1 | Rattus norvegicus (Rat) | 337 |
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