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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Oxytocin receptor
Species	Macaca mulatta (Rhesus macaque)
Gene	OXTR
Synonym	OT-R
Disease	N/A for non-human GPCRs
Length	389
Amino acid sequence	MEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProt	P56494
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	BDBM81889
Molecular formula	C43H59N9O6
IUPAC name	(1R,8R,11S,17R,20S)-11,20-dibenzyl-23-butan-2-yl-6-[(dimethylamino)methyl]-10-methyl-3,4,10,13,19,22,25,26-octazatetracyclo[23.4.0.03,8.013,17]nonacos-26-ene-2,9,12,18,21,24-hexone
Molecular weight	798.002
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	3.1
Synonyms	L-366,670 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-5-[(dimethylamino)methyl]-L-Pyz-N-methyl-D-Phe-] J440.775J
Inchi Key	IUFVFMBGWPJZJQ-PBIKBHKTSA-N
Inchi ID	InChI=1S/C43H59N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,28,31-37,45H,6,13-14,19-20,22-27H2,1-5H3,(H,46,54)(H,47,53)/t28?,31?,32-,33+,34+,35-,36+,37?/m0/s1
PubChem CID	91898391
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81889
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	8.1 nM	PMID1988661	BindingDB

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