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Name | CHEMBL264122 |
---|---|
Molecular formula | C57H72N14O9 |
IUPAC name | (2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide |
Molecular weight | 1097.29 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 3.0 |
Synonyms | BDBM50040320 PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Tyr-NH2 |
Inchi Key | NNQWIQOBBYNNFV-QRZYSCAJSA-N |
Inchi ID | InChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-16-19-42(72)20-17-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-11-6-5-7-12-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1 |
PubChem CID | 44359041 |
ChEMBL | CHEMBL264122 |
IUPHAR | N/A |
BindingDB | 50040320 |
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 |
---|---|---|---|---|---|
227914 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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