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Name | Alpha-1A adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRA1A |
Synonym | alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c [ Show all ] |
Disease | Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma [ Show all ] |
Length | 466 |
Amino acid sequence | MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV |
UniProt | P35348 |
Protein Data Bank | N/A |
GPCR-HGmod model | P35348 |
3D structure model | This predicted structure model is from GPCR-EXP P35348. |
BioLiP | N/A |
Therapeutic Target Database | T92609 |
ChEMBL | CHEMBL229 |
IUPHAR | 22 |
DrugBank | BE0000501 |
Name | CHEMBL431362 |
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Molecular formula | C32H36N4O5 |
IUPAC name | N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide |
Molecular weight | 556.663 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | BDBM50088416 N-[(S)-2-Hydroxy-3-[4-(2-isopropoxyphenyl)piperazino]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindoline-5-carboxamide 1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide |
Inchi Key | IQRXOCGLSGCNLE-VWLOTQADSA-N |
Inchi ID | InChI=1S/C32H36N4O5/c1-21(2)41-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-25(37)19-33-30(38)23-10-13-26-27(18-23)32(40)36(31(26)39)24-11-8-22(3)9-12-24/h4-13,18,21,25,37H,14-17,19-20H2,1-3H3,(H,33,38)/t25-/m0/s1 |
PubChem CID | 10792897 |
ChEMBL | CHEMBL431362 |
IUPHAR | N/A |
BindingDB | 50088416 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 0.29 nM | PMID10841797 | BindingDB,ChEMBL |
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