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Name | N-Acetyl-gastrin releasing peptide ethyl ester |
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Molecular formula | C43H60N12O9 |
IUPAC name | ethyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate |
Molecular weight | 889.028 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | 1.8 |
Synonyms | AC1NUT5Q N-Acetyl-grp-och2-CH3 CHEMBL2369372 Grp-EE BDBM50012300 [ Show all ] |
Inchi Key | XJDBEYLBPMSDAA-QQOSZXOGSA-N |
Inchi ID | InChI=1S/C43H60N12O9/c1-8-64-43(63)35(13-23(2)3)54-41(61)34(16-29-19-45-22-49-29)52-36(57)20-47-42(62)37(24(4)5)55-38(58)25(6)50-39(59)32(14-27-17-46-31-12-10-9-11-30(27)31)53-40(60)33(51-26(7)56)15-28-18-44-21-48-28/h9-12,17-19,21-25,32-35,37,46H,8,13-16,20H2,1-7H3,(H,44,48)(H,45,49)(H,47,62)(H,50,59)(H,51,56)(H,52,57)(H,53,60)(H,54,61)(H,55,58)/t25-,32-,33-,34-,35-,37-/m0/s1 |
PubChem CID | 5492433 |
ChEMBL | CHEMBL2369372 |
IUPHAR | N/A |
BindingDB | 50012300 |
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 |
---|---|---|---|---|---|
393165 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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