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Name | CHEMBL118610 |
---|---|
Molecular formula | C35H46N6O7 |
IUPAC name | (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoyl]-methylamino]hexanoyl]amino]-4-oxobutanoic acid |
Molecular weight | 662.788 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 3.2 |
Synonyms | BDBM50092387 N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2-{[3-(1H-indol-3-yl)-2-isobutyrylamino-propionyl]-methyl-amino}-hexanoylamino)-succinamic acid |
Inchi Key | BAEPLDDHZWYKGZ-DZUOILHNSA-N |
Inchi ID | InChI=1S/C35H46N6O7/c1-5-6-16-29(34(47)39-27(19-30(42)43)33(46)38-26(31(36)44)17-22-12-8-7-9-13-22)41(4)35(48)28(40-32(45)21(2)3)18-23-20-37-25-15-11-10-14-24(23)25/h7-15,20-21,26-29,37H,5-6,16-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)/t26-,27-,28-,29-/m0/s1 |
PubChem CID | 10604418 |
ChEMBL | CHEMBL118610 |
IUPHAR | N/A |
BindingDB | 50092387 |
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 |
---|---|---|---|---|---|
18780 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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