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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A2b
Species	Rattus norvegicus (Rat)
Gene	Adora2b
Synonym	A2b A2B receptor A2BR adenosine receptor A2b
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
UniProt	P29276
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	CHEMBL2592
IUPHAR	20
DrugBank	N/A

Ligand

Name	GR 103691
Molecular formula	C30H35N3O3
IUPAC name	4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight	485.628
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	MolPort-003-941-435 SR-01000597384-1 4''-acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)biphenyl-4-carboxamide AKOS022181851 BRD-K50891186-001-01-0 DB-043523 GR 103691, >=98% (HPLC), solid gr103691 NCGC00025004-03 Tox21_110943_1 (1,1'-Biphenyl)-4-carboxamide, 4'-acetyl-N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- 4'-acetyl-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}biphenyl-4-carboxamide BCP27715 CC-17652 DSSTox_RID_80056 KB-188935 SCHEMBL1156684 4 inverted exclamation marka-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1 inverted exclamation marka-biphenyl]-4-carboxamide AC1N7ICA Biomol-NT_000041 CHEMBL294747 GR 103,691 GR 103691\|4'-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1'-biphenyl]-4-carboxamide NCGC00025004-01 Tocris-1109 4'-acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)biphenyl-4-carboxamide AN-16951 C-35643 DSSTox_CID_22602 HMS3267K12 NCGC00025004-04 UNII-0Y0CM1A77L 0Y0CM1A77L 4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide BCP9000730 CHEBI:92882 DTXSID6042602 MFCD00936840 SR-01000597384 4''-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide AJ-45670 BPBio1_001263 CTK8E8996 GR-103691 NCGC00025004-02 Tox21_110943 4'-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1'-biphenyl]-4-carboxamide B6600 CAS-162408-66-4 DSSTox_GSID_42602 J-009934 RT-013113 ZINC3810247 162408-66-4 BDBM50342717 FT-0643571 [ Show all ]
Inchi Key	JARNORYOPMINDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
PubChem CID	4302960
ChEMBL	CHEMBL294747
IUPHAR	N/A
BindingDB	50342717
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
pKB	6.8 -	Bioorg. Med. Chem. Lett., (1995) 5:3:219	ChEMBL

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