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Name | CHEMBL2369384 |
---|---|
Molecular formula | C44H64N12O8 |
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)-4-methyl-1-propoxypentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide |
Molecular weight | 889.072 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 2.3 |
Synonyms | BDBM50012310 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-(3-methyl-1-propoxymethyl-butylcarbamoyl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide |
Inchi Key | ZKTUANAPOVMURU-YOQXABJRSA-N |
Inchi ID | InChI=1S/C44H64N12O8/c1-8-13-64-22-32(14-25(2)3)53-42(61)37(17-31-20-46-24-50-31)54-38(58)21-48-44(63)39(26(4)5)56-40(59)27(6)51-41(60)35(15-29-18-47-34-12-10-9-11-33(29)34)55-43(62)36(52-28(7)57)16-30-19-45-23-49-30/h9-12,18-20,23-27,32,35-37,39,47H,8,13-17,21-22H2,1-7H3,(H,45,49)(H,46,50)(H,48,63)(H,51,60)(H,52,57)(H,53,61)(H,54,58)(H,55,62)(H,56,59)/t27-,32-,35-,36-,37-,39-/m0/s1 |
PubChem CID | 73351473 |
ChEMBL | CHEMBL2369384 |
IUPHAR | N/A |
BindingDB | 50012310 |
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 |
---|---|---|---|---|---|
430947 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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