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Name | CHEMBL2369385 |
---|---|
Molecular formula | C42H60N12O8 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-1-methoxy-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide |
Molecular weight | 861.018 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 1.4 |
Synonyms | 2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[2-(3H-imidazol-4-yl)-1-(1-methoxymethyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide BDBM50012302 |
Inchi Key | AVXFGVMSBMVTAT-NSTJOIDWSA-N |
Inchi ID | InChI=1S/C42H60N12O8/c1-23(2)12-30(20-62-7)51-40(59)35(15-29-18-44-22-48-29)52-36(56)19-46-42(61)37(24(3)4)54-38(57)25(5)49-39(58)33(13-27-16-45-32-11-9-8-10-31(27)32)53-41(60)34(50-26(6)55)14-28-17-43-21-47-28/h8-11,16-18,21-25,30,33-35,37,45H,12-15,19-20H2,1-7H3,(H,43,47)(H,44,48)(H,46,61)(H,49,58)(H,50,55)(H,51,59)(H,52,56)(H,53,60)(H,54,57)/t25-,30-,33-,34-,35-,37-/m0/s1 |
PubChem CID | 73352939 |
ChEMBL | CHEMBL2369385 |
IUPHAR | N/A |
BindingDB | 50012302 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
15725 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218