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Name | CHEMBL65893 |
---|---|
Molecular formula | C42H60N12O7 |
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)-1-(heptan-4-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide |
Molecular weight | 845.019 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 10 |
XlogP | 1.7 |
Synonyms | BDBM50012315 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-propyl-butylcarbamoyl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide |
Inchi Key | NILFPYXOCUAFHU-CXGVEPOASA-N |
Inchi ID | InChI=1S/C42H60N12O7/c1-7-11-28(12-8-2)51-40(59)35(17-30-20-44-23-48-30)52-36(56)21-46-42(61)37(24(3)4)54-38(57)25(5)49-39(58)33(15-27-18-45-32-14-10-9-13-31(27)32)53-41(60)34(50-26(6)55)16-29-19-43-22-47-29/h9-10,13-14,18-20,22-25,28,33-35,37,45H,7-8,11-12,15-17,21H2,1-6H3,(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-,33-,34-,35-,37-/m0/s1 |
PubChem CID | 44307188 |
ChEMBL | CHEMBL65893 |
IUPHAR | N/A |
BindingDB | 50012315 |
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 |
---|---|---|---|---|---|
224120 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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