You can:
Name | CHEMBL3963000 |
---|---|
Molecular formula | C62H89N17O16S |
IUPAC name | 2-[4-[2-[[(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]-1-oxo-3-phenylpropan-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]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1360.56 |
Hydrogen bond acceptor | 22 |
Hydrogen bond donor | 15 |
XlogP | -7.9 |
Synonyms | N/A |
Inchi Key | TWJHRVDBFOQLKH-NGHRJIQNSA-N |
Inchi ID | InChI=1S/C62H89N17O16S/c1-37(2)55(62(95)67-31-50(81)71-48(28-41-30-65-36-68-41)61(94)73-46(26-39-10-6-5-7-11-39)60(93)72-44(56(64)89)16-25-96-4)75-57(90)38(3)69-59(92)47(27-40-29-66-43-13-9-8-12-42(40)43)74-58(91)45(14-15-49(63)80)70-51(82)32-76-17-19-77(33-52(83)84)21-23-79(35-54(87)88)24-22-78(20-18-76)34-53(85)86/h5-13,29-30,36-38,44-48,55,66H,14-28,31-35H2,1-4H3,(H2,63,80)(H2,64,89)(H,65,68)(H,67,95)(H,69,92)(H,70,82)(H,71,81)(H,72,93)(H,73,94)(H,74,91)(H,75,90)(H,83,84)(H,85,86)(H,87,88)/t38-,44-,45-,46-,47-,48-,55-/m0/s1 |
PubChem CID | 134152521 |
ChEMBL | CHEMBL3963000 |
IUPHAR | N/A |
BindingDB | N/A |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
552021 | Gastrin-releasing peptide receptor | P30550 | GRPR | Homo sapiens (Human) | 384 |
552022 | Neuromedin-B receptor | P24053 | Nmbr | Rattus norvegicus (Rat) | 390 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218