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GLASS

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GPCR

Name	Vasopressin V1a receptor
Species	Homo sapiens (Human)
Gene	AVPR1A
Synonym	AVPR V1a AVPR Antidiuretic hormone receptor 1a AVPR1 V1A receptor V1aR Vascular/hepatic-type arginine vasopressin receptor [ Show all ]
Disease	Euvolemic hyponatremia Hyponatraemia Dysmenorrhea Cardiotonic Infertility Localisation Autism Anxiety disorder Septic shock Acute and chronic heart failure Hypertension [ Show all ]
Length	418
Amino acid sequence	MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
UniProt	P37288
Protein Data Bank	N/A
GPCR-HGmod model	P37288
3D structure model	This predicted structure model is from GPCR-EXP P37288.
BioLiP	N/A
Therapeutic Target Database	T79232
ChEMBL	CHEMBL1889
IUPHAR	366
DrugBank	BE0000165

Ligand

Name	MLS000530432
Molecular formula	C19H21ClN2O4S2
IUPAC name	2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
Molecular weight	440.957
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	2-[(4-chlorophenyl)thio]-N-(4-morpholinosulfonylphenyl)propionamide SCHEMBL13712126 AC1MF41Z HMS2378K08 SR-01000218421-1 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide BIM-0029857.P001 MolPort-002-316-920 2-[(4-chlorophenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide CHEMBL1409517 SMR000135410 AKOS000895710 MCULE-5849322078 STL124015 2-[(4-chlorophenyl)sulfanyl]-N-[4-(morpholin-4-ylsulfonyl)phenyl]propanamide CBMicro_029860 Oprea1_456714 cid_2865612 SR-01000218421 BDBM75539 [ Show all ]
Inchi Key	ADRASFMZVRWGLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN2O4S2/c1-14(27-17-6-2-15(20)3-7-17)19(23)21-16-4-8-18(9-5-16)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
PubChem CID	2865612
ChEMBL	CHEMBL1409517
IUPHAR	N/A
BindingDB	75539
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<29910.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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