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Name | Apelin receptor |
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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 | MLS001116146 |
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Molecular formula | C20H18ClN3O5S |
IUPAC name | 2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide |
Molecular weight | 447.89 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | ZINC8916939 5-chloranyl-N-(2,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide MCULE-5637659271 AKOS001519004 SMR000625769 [ Show all ] |
Inchi Key | IIVFQIWIHKVKTD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18ClN3O5S/c1-28-14-8-9-17(29-2)16(10-14)23-19(25)18-15(21)11-22-20(24-18)30(26,27)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,25) |
PubChem CID | 16446380 |
ChEMBL | CHEMBL1404578 |
IUPHAR | N/A |
BindingDB | 67359 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 4650.0 nM | N/A | BindingDB |
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