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Name | CHEMBL264648 |
---|---|
Molecular formula | C59H76N14O8 |
IUPAC name | (2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[(3-methyl-3-phenylbutanoyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide |
Molecular weight | 1109.35 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 11 |
XlogP | 4.2 |
Synonyms | BDBM50040314 (CH3)2PhCCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2 |
Inchi Key | GTMCUXOCPBEAHY-UZACSEKYSA-N |
Inchi ID | InChI=1S/C59H76N14O8/c1-35(2)51(57(80)68-36(3)53(76)71-49(27-42-31-62-34-66-42)58(81)73-23-15-20-43(73)32-64-46(52(60)75)24-38-16-9-7-10-17-38)72-54(77)37(4)67-55(78)47(25-39-29-63-45-22-14-13-21-44(39)45)70-56(79)48(26-41-30-61-33-65-41)69-50(74)28-59(5,6)40-18-11-8-12-19-40/h7-14,16-19,21-22,29-31,33-37,43,46-49,51,63-64H,15,20,23-28,32H2,1-6H3,(H2,60,75)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,74)(H,70,79)(H,71,76)(H,72,77)/t36-,37+,43-,46+,47+,48+,49+,51+/m1/s1 |
PubChem CID | 10079875 |
ChEMBL | CHEMBL264648 |
IUPHAR | N/A |
BindingDB | 50040314 |
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 |
---|---|---|---|---|---|
104974 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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