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Name | Delta-type opioid receptor |
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Species | Homo sapiens (Human) |
Gene | OPRD1 |
Synonym | D-OR-1 DOR opioid receptor OP1 DOP [ Show all ] |
Disease | Cough Overactive bladder disorder Bladder disease Moderate-to-severe pain Diarrhea-predominant IBS [ Show all ] |
Length | 372 |
Amino acid sequence | MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA |
UniProt | P41143 |
Protein Data Bank | 4rwd, 4rwa, 4n6h |
GPCR-HGmod model | P41143 |
3D structure model | This structure is from PDB ID 4rwd. |
BioLiP | BL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700 |
Therapeutic Target Database | T58992 |
ChEMBL | CHEMBL236 |
IUPHAR | 317 |
DrugBank | BE0000420 |
Name | MLS000573225 |
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Molecular formula | C16H15ClN4O3S2 |
IUPAC name | N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide |
Molecular weight | 410.891 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | AC1MFGLQ MCULE-6569298935 N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}thiophene-2-carboxamide C16H15ClN4O3S2 N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide [ Show all ] |
Inchi Key | ALVGDMCSDZDMMY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H15ClN4O3S2/c17-11-3-4-12(13(10-11)21(23)24)19-5-7-20(8-6-19)16(25)18-15(22)14-2-1-9-26-14/h1-4,9-10H,5-8H2,(H,18,22,25) |
PubChem CID | 2894113 |
ChEMBL | CHEMBL1500450 |
IUPHAR | N/A |
BindingDB | 51709 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <32000.0 nM | PubChem BioAssay data set | ChEMBL |
IC50 | <32000.0 nM | PubChem BioAssay data set | ChEMBL |
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