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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	Vasopressin V1a receptor
Species	Rattus norvegicus (Rat)
Gene	Avpr1a
Synonym	AVPR AVPR V1a AVPR1 antidiuretic hormone receptor 1a V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	424
Amino acid sequence	MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
UniProt	P30560
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	CHEMBL2868
IUPHAR	366
DrugBank	N/A

Ligand

Name	CHEMBL2372422
Molecular formula	C46H64N18O12S2
IUPAC name	(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(4-azidophenyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular weight	1125.25
Hydrogen bond acceptor	18
Hydrogen bond donor	14
XlogP	-3.9
Synonyms	BDBM50453148
Inchi Key	BQLRGCYAAWQNHV-LGYYRGKSSA-N
Inchi ID	InChI=1S/C46H64N18O12S2/c47-27-21-77-78-22-33(45(76)64-16-2-4-34(64)44(75)57-28(3-1-15-54-46(51)52)39(70)55-20-37(50)68)61-43(74)32(19-36(49)67)60-40(71)29(13-14-35(48)66)56-41(72)31(17-23-5-9-25(10-6-23)62-63-53)59-42(73)30(58-38(27)69)18-24-7-11-26(65)12-8-24/h5-12,27-34,65H,1-4,13-22,47H2,(H2,48,66)(H2,49,67)(H2,50,68)(H,55,70)(H,56,72)(H,57,75)(H,58,69)(H,59,73)(H,60,71)(H,61,74)(H4,51,52,54)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID	73353252
ChEMBL	CHEMBL2372422
IUPHAR	N/A
BindingDB	50453148
DrugBank	N/A
Structure SDF download
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.

Experimental Data

Parameter	Value	Reference	Database source
Kd	16.0 nM	PMID1732523	BindingDB
Kd	16.22 nM	PMID1732523	ChEMBL
Kd	16.4 nM	PMID1732523	ChEMBL
RA	4.0 %	PMID1732523	ChEMBL

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