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Name | BDBM85485 |
---|---|
Molecular formula | C49H70N14O9 |
IUPAC name | (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-(2,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-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 | 999.188 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 1.3 |
Synonyms | DPhe6-Bn(6-13)NHN(ME)2 |
Inchi Key | RAXTXCFWXFLBTE-BZFHMXIJSA-N |
Inchi ID | InChI=1S/C49H70N14O9/c1-27(2)19-37(48(71)62-63(6)7)59-47(70)39(22-32-24-52-26-55-32)57-41(65)25-54-49(72)42(28(3)4)61-43(66)29(5)56-46(69)38(21-31-23-53-35-16-12-11-15-33(31)35)60-45(68)36(17-18-40(51)64)58-44(67)34(50)20-30-13-9-8-10-14-30/h8-16,23-24,26-29,34,36-39,42,53H,17-22,25,50H2,1-7H3,(H2,51,64)(H,52,55)(H,54,72)(H,56,69)(H,57,65)(H,58,67)(H,59,70)(H,60,68)(H,61,66)(H,62,71)/t29-,34+,36-,37-,38-,39-,42-/m0/s1 |
PubChem CID | 57340140 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85485 |
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 |
---|---|---|---|---|---|
291792 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
291791 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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