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Name | Neuropeptides B/W receptor type 1 |
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Species | Homo sapiens (Human) |
Gene | NPBWR1 |
Synonym | G protein-coupled receptor 7 G-protein coupled receptor 7 GPR7 neuropeptides B/W receptor type 1 NPBW1 receptor |
Disease | N/A |
Length | 328 |
Amino acid sequence | MDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA |
UniProt | P48145 |
Protein Data Bank | N/A |
GPCR-HGmod model | P48145 |
3D structure model | This predicted structure model is from GPCR-EXP P48145. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1293293 |
IUPHAR | N/A |
DrugBank | N/A |
Name | MLS000122826 |
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Molecular formula | C23H27N5O3S2 |
IUPAC name | 2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide |
Molecular weight | 485.621 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | 2-[[4-(2,4-dimethylphenyl)-5-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide ASN 04654721 Oprea1_676674 2-[[4-(2,4-dimethylphenyl)-5-[4-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide CHEMBL1382150 [ Show all ] |
Inchi Key | CGIRIMAQFCOUKP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H27N5O3S2/c1-16-6-11-20(17(2)14-16)28-22(25-26-23(28)32-15-21(24)29)18-7-9-19(10-8-18)33(30,31)27-12-4-3-5-13-27/h6-11,14H,3-5,12-13,15H2,1-2H3,(H2,24,29) |
PubChem CID | 1431538 |
ChEMBL | CHEMBL1382150 |
IUPHAR | N/A |
BindingDB | 62077 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 5295.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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