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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	Type-1B angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr1b
Synonym	Angiotensin II type-1B receptor AT1B AT3
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProt	P29089
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	CHEMBL263
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL297265
Molecular formula	C34H39ClN4O5
IUPAC name	ethyl 1-[(2S)-1-[4-[[2-butyl-4-chloro-5-(2-methoxy-2-oxoethyl)imidazol-1-yl]methyl]anilino]-1-oxo-3-phenylpropan-2-yl]-2-methylpyrrole-3-carboxylate
Molecular weight	619.159
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	6.5
Synonyms	BDBM50047946 SCHEMBL9589966 1-{1-[4-(2-Butyl-4-chloro-5-methoxycarbonylmethyl-imidazol-1-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester 1-[4-[[(2S)-2-(3-Ethoxycarbonyl-2-methyl-1H-pyrrol-1-yl)-3-phenyl-1-oxopropyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-acetic acid methyl ester
Inchi Key	DLNAUNMVOJVTKL-LJAQVGFWSA-N
Inchi ID	InChI=1S/C34H39ClN4O5/c1-5-7-13-30-37-32(35)28(21-31(40)43-4)39(30)22-25-14-16-26(17-15-25)36-33(41)29(20-24-11-9-8-10-12-24)38-19-18-27(23(38)3)34(42)44-6-2/h8-12,14-19,29H,5-7,13,20-22H2,1-4H3,(H,36,41)/t29-/m0/s1
PubChem CID	44294052
ChEMBL	CHEMBL297265
IUPHAR	N/A
BindingDB	50047946
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1470.0 nM	PMID8510101	BindingDB,ChEMBL

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