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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	terconazole
Molecular formula	C26H31Cl2N5O3
IUPAC name	1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
Molecular weight	532.466
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.8
Synonyms	LS-176634 Panlomyc rel-(2S,4S)-Terconazole Terazol 7 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine Terconazolum AB00513849_07 BPBio1_000429 CHEBI:82980 DSSTox_CID_25498 HMS2233C22 NCGC00016912-01 Piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, cis- SR-01000841196 Terconazol 1-[4-[[(2R)-2alpha-(2,4-Dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine Tox21_110679 AKOS016846147 BSPBio_000389 cis-1-(p-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine DTXSID2045498 J-008500 NSC-760361 R 42470 Terazol 3 (2R,4S)-terconazole Terconazole (USAN/INN) 915T315 Zazole BDBM50375318 CAS-67915-31-5 D00888 Gyno-Terazol KS-00000H43 MLS002153844 Pharmakon1600-01503847 SCHEMBL23165 Terazol 7 & 3 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine Terconazolum [INN-Latin] AC1L9B2M BRD-K86204871-001-02-2 DSSTox_GSID_45498 HMS3713D11 NCGC00179575-01 Prestwick3_000495 SR-01000841196-2 Terconazol [INN-Spanish] 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine Triaconazole AS-14153 C08080 CS-6456 EINECS 267-751-6 KB-217439 NSC760361 R-42470 Terazol 3 (TN) 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine Terconazole [USAN:INN:BAN] AB00513849 ZINC3873936 BIDD:GT0705 CCG-213216 DB00251 HMS2096D11 KS-1463 MolPort-006-133-612 Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, rel- SMR001233206 Terazol Cream & Suppositories 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine Tercospor AK135621 BRD-K86204871-001-13-9 CHEMBL1306 DSSTox_RID_80917 HY-B1790 NSC 331942 R 42,470 Terazol 67915-31-5 UNII-0KJ2VE664U component BLSQLHNBWJLIBQ-OZXSUGGESA-N AX8152619 C26H31Cl2N5O3 CT0256 Fungistat KM1155 [ Show all ]
Inchi Key	BLSQLHNBWJLIBQ-OZXSUGGESA-N
Inchi ID	InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
PubChem CID	441383
ChEMBL	CHEMBL1306
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2729.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1246.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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