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Name | CHEMBL3577300 |
---|---|
Molecular formula | C31H30N4O4 |
IUPAC name | (3S)-3-(3-aminopropyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-oxo-5-(4-phenylphenyl)-3,6-dihydropyrrolo[3,2-e][1,4]diazepine-7-carboxylic acid |
Molecular weight | 522.605 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 2.3 |
Synonyms | BDBM50089671 |
Inchi Key | JYOIDCLSHGWNTR-VWLOTQADSA-N |
Inchi ID | InChI=1S/C31H30N4O4/c32-17-4-7-25-30(37)35(18-16-20-8-14-24(36)15-9-20)27-19-26(31(38)39)34-29(27)28(33-25)23-12-10-22(11-13-23)21-5-2-1-3-6-21/h1-3,5-6,8-15,19,25,34,36H,4,7,16-18,32H2,(H,38,39)/t25-/m0/s1 |
PubChem CID | 122177624 |
ChEMBL | CHEMBL3577300 |
IUPHAR | N/A |
BindingDB | 50089671 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
483052 | Urotensin-2 receptor | P49684 | Uts2r | Rattus norvegicus (Rat) | 386 |
483053 | Urotensin-2 receptor | Q9UKP6 | UTS2R | Homo sapiens (Human) | 389 |
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