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Name | DPhe6-Bn(6-13)propylamide |
---|---|
Molecular formula | C50H71N13O9 |
IUPAC name | (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide |
Molecular weight | 998.2 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 12 |
XlogP | 1.9 |
Synonyms | BDBM85495 |
Inchi Key | HXEBBIXVMLZULY-OFSPXGKGSA-N |
Inchi ID | InChI=1S/C50H71N13O9/c1-7-19-54-46(68)38(20-28(2)3)61-49(71)40(23-33-25-53-27-57-33)59-42(65)26-56-50(72)43(29(4)5)63-44(66)30(6)58-48(70)39(22-32-24-55-36-16-12-11-15-34(32)36)62-47(69)37(17-18-41(52)64)60-45(67)35(51)21-31-13-9-8-10-14-31/h8-16,24-25,27-30,35,37-40,43,55H,7,17-23,26,51H2,1-6H3,(H2,52,64)(H,53,57)(H,54,68)(H,56,72)(H,58,70)(H,59,65)(H,60,67)(H,61,71)(H,62,69)(H,63,66)/t30-,35+,37-,38-,39-,40-,43-/m0/s1 |
PubChem CID | 10011220 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85495 |
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 |
---|---|---|---|---|---|
126117 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
126116 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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