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Name | BDBM50347825 |
---|---|
Molecular formula | C72H106N22O16 |
IUPAC name | (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide |
Molecular weight | 1535.78 |
Hydrogen bond acceptor | 21 |
Hydrogen bond donor | 23 |
XlogP | -4.6 |
Synonyms | N/A |
Inchi Key | KUVCXHIEKAURFX-UHLSBEBOSA-N |
Inchi ID | InChI=1S/C72H106N22O16/c73-30-12-10-22-48(87-63(103)49(23-11-13-31-74)88-64(104)50(24-14-32-81-71(77)78)90-69(109)56(41-95)93-66(106)53(85-58(98)38-75)37-46-26-28-47(97)29-27-46)62(102)84-39-59(99)83-40-60(100)86-54(35-44-18-6-2-7-19-44)67(107)94-57(42-96)70(110)92-55(36-45-20-8-3-9-21-45)68(108)89-51(25-15-33-82-72(79)80)65(105)91-52(61(76)101)34-43-16-4-1-5-17-43/h1-9,16-21,26-29,48-57,95-97H,10-15,22-25,30-42,73-75H2,(H2,76,101)(H,83,99)(H,84,102)(H,85,98)(H,86,100)(H,87,103)(H,88,104)(H,89,108)(H,90,109)(H,91,105)(H,92,110)(H,93,106)(H,94,107)(H4,77,78,81)(H4,79,80,82)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 |
PubChem CID | 91932312 |
ChEMBL | CHEMBL1802417 |
IUPHAR | N/A |
BindingDB | 50347825 |
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 |
---|---|---|---|---|---|
178832 | Pyroglutamylated RF-amide peptide receptor | Q96P65 | QRFPR | Homo sapiens (Human) | 431 |
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