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Name | CHEMBL385805 |
---|---|
Molecular formula | C60H78N14O10 |
IUPAC name | N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-hydroxy-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-6-methylheptanamide |
Molecular weight | 1155.37 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 13 |
XlogP | 3.4 |
Synonyms | BDBM50040321 PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-Sta-Phe-NH2 |
Inchi Key | CAUWDHKNTABOGL-XMLFWXBDSA-N |
Inchi ID | InChI=1S/C60H78N14O10/c1-34(2)23-45(50(75)28-52(77)69-46(54(61)78)24-39-17-11-8-12-18-39)71-59(83)49(27-42-31-63-33-66-42)72-55(79)36(5)68-60(84)53(35(3)4)74-56(80)37(6)67-57(81)47(25-40-29-64-44-20-14-13-19-43(40)44)73-58(82)48(26-41-30-62-32-65-41)70-51(76)22-21-38-15-9-7-10-16-38/h7-20,29-37,45-50,53,64,75H,21-28H2,1-6H3,(H2,61,78)(H,62,65)(H,63,66)(H,67,81)(H,68,84)(H,69,77)(H,70,76)(H,71,83)(H,72,79)(H,73,82)(H,74,80)/t36-,37-,45?,46-,47-,48-,49-,50?,53-/m0/s1 |
PubChem CID | 44359129 |
ChEMBL | CHEMBL385805 |
IUPHAR | N/A |
BindingDB | 50040321 |
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 |
---|---|---|---|---|---|
37548 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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