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Name | BDBM50279043 |
---|---|
Molecular formula | C69H106N24O19S |
IUPAC name | (2S)-N-[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-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]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide |
Molecular weight | 1607.82 |
Hydrogen bond acceptor | 22 |
Hydrogen bond donor | 23 |
XlogP | -6.8 |
Synonyms | N/A |
Inchi Key | IHRVGJMGWDOEAV-CGFNKZNASA-N |
Inchi ID | InChI=1S/C69H106N24O19S/c1-32(2)23-45(64(108)86-40(57(73)101)20-22-113-7)90-65(109)47(25-37-28-76-31-81-37)84-53(99)29-79-67(111)55(33(3)4)92-58(102)34(5)82-63(107)46(24-36-27-78-39-12-9-8-11-38(36)39)91-61(105)44(15-18-50(71)96)89-66(110)48(26-51(72)97)85-54(100)30-80-68(112)56(35(6)94)93-62(106)41(13-10-21-77-69(74)75)87-60(104)43(14-17-49(70)95)88-59(103)42-16-19-52(98)83-42/h8-9,11-12,27-28,31-35,40-48,55-56,78,94H,10,13-26,29-30H2,1-7H3,(H2,70,95)(H2,71,96)(H2,72,97)(H2,73,101)(H,76,81)(H,79,111)(H,80,112)(H,82,107)(H,83,98)(H,84,99)(H,85,100)(H,86,108)(H,87,104)(H,88,103)(H,89,110)(H,90,109)(H,91,105)(H,92,102)(H,93,106)(H4,74,75,77)/t34-,35+,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-,56-/m0/s1 |
PubChem CID | 91934959 |
ChEMBL | CHEMBL525820 |
IUPHAR | N/A |
BindingDB | 50279043 |
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 |
---|---|---|---|---|---|
133506 | Gastrin-releasing peptide receptor | P30550 | GRPR | Homo sapiens (Human) | 384 |
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