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GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

Ligand

Name	INDORAMIN
Molecular formula	C22H25N3O
IUPAC name	N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
Molecular weight	347.462
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.1
Synonyms	S052 ZINC1567 3-[2-(4-Benzamidopiperidino)ethyl]indole AKOS015994528 C22H25N3O DB08950 Indoramin (USAN/INN) Indoraminum MLS001182179 N-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide (Indoramin) SMR000567879 AC1L1PYQ Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)- GTPL501 Indoramina KS-00002WRM N-(1-(2-Indol-3-ylethyl)-4-piperidyl)benzamide Oprea1_130443 WY 21901 3-(2-(4-Benzamidopiperid-1-yl)ethyl)indole AF-0013 Benzamide, N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl]- D04531 IDI1_016359 Indoramine [INN-French] Maybridge3_004972 N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide PDSP2_001083 SCHEMBL49517 Baratol CCG-41146 DTXSID7048370 Indoramin [USAN:BAN:INN] Indoraminum [INN-Latin] MolPort-002-914-870 N-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide(Indoramin) SR-01000631243-1 0Z802HMY7H AC1Q5FDP Benzamide, N-(1-(2-indol-3-ylethyl)-4-piperidyl)- CHEMBL279516 HMS1445B22 Indoramina [INN-Spanish] L001292 N-(1-[2-(1H-Indol-3-yl)ethyl]-4-piperidinyl)benzamide # PDSP1_001099 PDSP2_001407 Wy-21901 3-[2-(4-Benzamido-1-piperidyl)ethyl]indole AJ-08048 BRN 0494035 INDORAMINN-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide MCULE-9172964530 N-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide SCHEMBL49518 BDBM50033113 CHEBI:135470 EINECS 248-041-5 Indoramin [USAN:INN:BAN] JXZZEXZZKAWDSP-UHFFFAOYSA-N N-(1-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)benzamide NCGC00165810-01 UNII-0Z802HMY7H 26844-12-2 ACM26844122 Benzamide, N-[1-(2-indol-3-ylethyl)-4-piperidyl]- D02LHR HMS2851P23 Indoramine LS-27034 N-[1-(2-Indol-3-ylethyl)-4-piperidyl]benzamide PDSP1_001423 [ Show all ]
Inchi Key	JXZZEXZZKAWDSP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)
PubChem CID	33625
ChEMBL	CHEMBL279516
IUPHAR	501
BindingDB	50033113
DrugBank	DB08950
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	528.0 nM	PMID7658428	BindingDB,ChEMBL

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