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Name | Oxytocin receptor |
---|---|
Species | Homo sapiens (Human) |
Gene | OXTR |
Synonym | OTR OT-R OT receptor |
Disease | Threatened pre-term labour Postpartum haemorrhage Premature ejaculation Miscarriage Female sexual dysfunction [ Show all ] |
Length | 389 |
Amino acid sequence | MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA |
UniProt | P30559 |
Protein Data Bank | N/A |
GPCR-HGmod model | P30559 |
3D structure model | This predicted structure model is from GPCR-EXP P30559. |
BioLiP | N/A |
Therapeutic Target Database | T84486 |
ChEMBL | CHEMBL2049 |
IUPHAR | 369 |
DrugBank | BE0000844 |
Name | CHEMBL1819541 |
---|---|
Molecular formula | C42H65N13O12S2 |
IUPAC name | (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide |
Molecular weight | 1008.18 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 13 |
XlogP | -4.5 |
Synonyms | BDBM50350875 |
Inchi Key | BSNMLIXURUHBQK-BQGUCLBMSA-N |
Inchi ID | InChI=1S/C42H65N13O12S2/c1-3-21(2)34-41(66)50-26(12-13-31(45)57)37(62)52-28(17-32(46)58)38(63)53-29(20-69-68-19-24(44)35(60)51-27(39(64)54-34)16-22-8-10-23(56)11-9-22)42(67)55-15-5-7-30(55)40(65)49-25(6-4-14-43)36(61)48-18-33(47)59/h8-11,21,24-30,34,56H,3-7,12-20,43-44H2,1-2H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,65)(H,50,66)(H,51,60)(H,52,62)(H,53,63)(H,54,64)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1 |
PubChem CID | 56658416 |
ChEMBL | CHEMBL1819541 |
IUPHAR | N/A |
BindingDB | 50350875 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 3.3 nM | PMID21688787 | BindingDB,ChEMBL |
EC50 | 3.311 nM | PMID21688787 | ChEMBL |
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