You can:
Name | Apelin receptor |
---|---|
Species | Homo sapiens (Human) |
Gene | APLNR |
Synonym | msr/apj GPCR34 G-protein coupled receptor HG11 G-protein coupled receptor APJ AGTRL1 [ Show all ] |
Disease | N/A |
Length | 380 |
Amino acid sequence | MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD |
UniProt | P35414 |
Protein Data Bank | 5vbl |
GPCR-HGmod model | P35414 |
3D structure model | This structure is from PDB ID 5vbl. |
BioLiP | BL0380094, BL0380093 |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1628481 |
IUPHAR | 36 |
DrugBank | N/A |
Name | MLS-0103364.0001 |
---|---|
Molecular formula | C22H25NO3 |
IUPAC name | 1-[3-(4-tert-butylphenoxy)propyl]-7-methylindole-2,3-dione |
Molecular weight | 351.446 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.0 |
Synonyms | 1-[3-(4-tert-butylphenoxy)propyl]-7-methyl-indole-2,3-dione AT-057/42304537 MLS000522284 1-{3-[4-(tert-butyl)phenoxy]propyl}-7-methylbenzo[d]azolidine-2,3-dione CHEMBL1522544 [ Show all ] |
Inchi Key | PESHQZFOQZCWKC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H25NO3/c1-15-7-5-8-18-19(15)23(21(25)20(18)24)13-6-14-26-17-11-9-16(10-12-17)22(2,3)4/h5,7-12H,6,13-14H2,1-4H3 |
PubChem CID | 3372218 |
ChEMBL | CHEMBL1522544 |
IUPHAR | N/A |
BindingDB | 83206 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <66600.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417