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GLASS

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GPCR

Name	Vasopressin V1b receptor
Species	Homo sapiens (Human)
Gene	AVPR1B
Synonym	AVPR3 Vasopressin V3 receptor vasopressin V1b receptor V3/V1b pituitary vasopressin receptor V3 V1bR V1B receptor Antidiuretic hormone receptor 1b AVPR V1b AVPR V3 VPR3 [ Show all ]
Disease	Anxiety disorder Major depressive disorder; Anxiety Major depressive disorder
Length	424
Amino acid sequence	MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
UniProt	P47901
Protein Data Bank	N/A
GPCR-HGmod model	P47901
3D structure model	This predicted structure model is from GPCR-EXP P47901.
BioLiP	N/A
Therapeutic Target Database	T59881
ChEMBL	CHEMBL1921
IUPHAR	367
DrugBank	BE0000773

Ligand

Name	3,6-dichloro-1-benzothiophene-2-carboxylic acid
Molecular formula	C9H4Cl2O2S
IUPAC name	3,6-dichloro-1-benzothiophene-2-carboxylic acid
Molecular weight	247.089
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.1
Synonyms	SBB006951 TR-051346 AB0167220 BDBM50424782 HMS1422D09 SMR000413655 AC1Q729G J-019658 MLS000777260 ST45138818 34576-94-8 ALBB-000952 EN300-00845 SC-13116 Z56896343 AC1LEPN5 Benzo[b]thiophene-2-carboxylicacid, 3,6-dichloro- IDI1_009702 L-3988 SR-01000412428 3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid AF-399/25051010 CHEMBL1448105 MolPort-000-499-462 STK396196 AAHPIJMQJAZYTM-UHFFFAOYSA-N BBL015713 F0818-0022 SCHEMBL6886010 ZINC176157 0F1 AC1Q3RLR BS-13937 IFLab1_003595 MCULE-9040814889 SR-01000412428-1 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid AKOS000113955 CTK1C2636 [ Show all ]
Inchi Key	AAHPIJMQJAZYTM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)
PubChem CID	739884
ChEMBL	CHEMBL1448105
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	19438.4 nM	PubChem BioAssay data set	ChEMBL

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