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Name | CHEMBL438290 |
---|---|
Molecular formula | C47H68N14O9S |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-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]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide |
Molecular weight | 1005.21 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 0.6 |
Synonyms | Ac-His-Trp-Ala-Val-Ala-His-Leu-Met-NH2 BDBM50012298 D0LC2O |
Inchi Key | FLMAIOAFTCGWGR-YDDHTLEASA-N |
Inchi ID | InChI=1S/C47H68N14O9S/c1-24(2)15-35(44(67)57-34(40(48)63)13-14-71-8)59-46(69)38(18-31-21-50-23-53-31)58-41(64)26(5)55-47(70)39(25(3)4)61-42(65)27(6)54-43(66)36(16-29-19-51-33-12-10-9-11-32(29)33)60-45(68)37(56-28(7)62)17-30-20-49-22-52-30/h9-12,19-27,34-39,51H,13-18H2,1-8H3,(H2,48,63)(H,49,52)(H,50,53)(H,54,66)(H,55,70)(H,56,62)(H,57,67)(H,58,64)(H,59,69)(H,60,68)(H,61,65)/t26-,27-,34-,35-,36-,37-,38-,39-/m0/s1 |
PubChem CID | 44306522 |
ChEMBL | CHEMBL438290 |
IUPHAR | N/A |
BindingDB | 50012298 |
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 |
---|---|---|---|---|---|
81347 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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