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GPCR

Name	Beta-2 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB2
Synonym	beta-2 adrenergic receptor Gpcr7 beta2-adrenoceptor Adrb-2 ADRB2R ADRBR adrenergic receptor adrenoceptor beta 2, surface beta-2 adrenoreceptor Beta-2 adrenoceptor B2AR beta 2-AR [ Show all ]
Disease	Premature labour Premature ejaculation Obesity Neurogenic bladder dysfunction Hypertension Ocular hypertension Chronic obstructive pulmonary disease; Asthma Chronic obstructive pulmonary disease Chronic breathing disorders Cachexia Bronchodilator Bradycardia; Heart block Skin infections Unspecified Acute asthma Aging skin; Exacerbations of acute asthma Asthma; Chronic obstructive pulmonary disease Asthma [ Show all ]
Length	413
Amino acid sequence	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProt	P07550
Protein Data Bank	3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod model	P07550
3D structure model	This structure is from PDB ID 3nya.
BioLiP	BL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target Database	T24555, T52522
ChEMBL	CHEMBL210
IUPHAR	29
DrugBank	BE0000694

Ligand

Name	terguride
Molecular formula	C20H28N4O
IUPAC name	3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Molecular weight	340.471
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.5
Synonyms	(5R,8S,10R)-Terguride UNII-21OJT43Q88 37686-85-4 (maleate[1:1]) 9,10\|A-Dihydrolisuride BSPBio_000834 DSSTox_CID_25809 HMS2232H10 N,N-Diethyl-N'-[(8\|A)-6-methylergolin-8-yl]urea S(+)-N,N-Diethyl-N inverted exclamation marka([8\|A]-6-methylergolin-8-yl)urea SPBio_003069 Terguride (JAN/INN) Terguridum [Latin] 1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-urea ZINC3811327 6-Methyl-8alpha-(diethylcarbamoylamino)ergoline AJ-45674 DTXSID3045809 KS-1464 Opera_ID_1172 S(+)-Terguride Teluron (TN) (+)-(5R,8S,10R)-Terguride trans-Dihydrolisuride 3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea 8alpha-(3,3-diethylureido)-6-methylergoline BPBio1_000918 D01ZOB GTPL56 N,N-Diethyl-N'-(D-6-methyl-10alpha-isoergolin-8-yl)urea Prestwick2_000945 SH-406 Tergurida [Spanish] 1,1-diethyl-3-(6-methyl-8alpha-ergolinyl)urea Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)- AB00514698 CAS-37686-84-3 DSSTox_GSID_45809 J-523241 NCGC00094476-03 S(+)-N,N-Diethyl-N'([8alpha]-6-methylergolin-8-yl)urea TDHL Terguride [INN] Tox21_111283 1-((5R,8S,10R)-6-Methyl-8-ergolinyl)-3,3-diethylurea ZK 31224 6-Methyl-8\|A-(diethylcarbamoylamino)ergoline API0004355 CHEMBL73151 EINECS 253-624-2 MLS000069833 Prestwick0_000945 S(+)-Terguride (5R, 8S, 10R) Tergurid (+)-Terguride Transdihydrolisuride 37686-84-3 9,10-alpha-Dihydrolisuride BRN 0766582 Dironyl HMS1570N12 N,N-Diethyl-N'-(D-6-methyl-10\|A-isoergolin-8-yl)urea Prestwick3_000927 SMR000058934 Terguridum 1,1-Diethyl-3-(6-methylergolin-8alpha-yl)urea VUFB-6638 AC1L9FGP CHEBI:32193 DSSTox_RID_81146 JOAHPSVPXZTVEP-YXJHDRRASA-N NCGC00179409-02 s(+)-N,N-Diethyl-n([8alpha]-6-methylergolin-8-yl)urea Teluron trans-Dihydro Lisuride 21OJT43Q88 ZK-31224 85649-11-2 BDBM50017519 D01348 FT-0667042 N,N-Dethyl-n'-[(8alpha)-6-methylergoln-8-yl]urea Prestwick1_000945 SCHEMBL147259 Tergurida [ Show all ]
Inchi Key	JOAHPSVPXZTVEP-YXJHDRRASA-N
Inchi ID	InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
PubChem CID	443951
ChEMBL	CHEMBL73151
IUPHAR	56
BindingDB	50017519
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	19.95 nM	PMID12388666	BindingDB

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