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Name | BDBM85493 |
---|---|
Molecular formula | C52H75N13O10 |
IUPAC name | (2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]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 | 1042.25 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 13 |
XlogP | 2.3 |
Synonyms | DTyr6,DAla11-Bn(6-13)butylamide |
Inchi Key | SMXPOFJOLCMPEF-DHJDREFYSA-N |
Inchi ID | InChI=1S/C52H75N13O10/c1-8-9-20-56-48(71)40(21-28(2)3)63-51(74)42(24-34-26-55-27-58-34)62-45(68)30(6)60-52(75)44(29(4)5)65-46(69)31(7)59-50(73)41(23-33-25-57-38-13-11-10-12-36(33)38)64-49(72)39(18-19-43(54)67)61-47(70)37(53)22-32-14-16-35(66)17-15-32/h10-17,25-31,37,39-42,44,57,66H,8-9,18-24,53H2,1-7H3,(H2,54,67)(H,55,58)(H,56,71)(H,59,73)(H,60,75)(H,61,70)(H,62,68)(H,63,74)(H,64,72)(H,65,69)/t30-,31+,37-,39+,40+,41+,42+,44+/m1/s1 |
PubChem CID | 57340145 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 85493 |
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 |
---|---|---|---|---|---|
318288 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
318287 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
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