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GPCR

Name	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
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	CHEMBL315
IUPHAR	23
DrugBank	N/A

Ligand

Name	VERAPAMIL
Molecular formula	C27H38N2O4
IUPAC name	2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular weight	454.611
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	NCGC00016083-08 CHEMBL6966 1394-EP2305648A1 NCGC00016083-17 CP 16533-1 (Verapamil) 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropylpentanenitrile # NCGC00024710-09 D02356 52V114 NSC_62969 dl-Verapamil AC1L1DV5 SBI-0051204.P003 F2173-0851 Ansyr SPBio_002181 HMS1989L15 Isoptin (TN) Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+-)- Tox21_110300_1 Isoptin KBio2_002343 BP-21223 Verapamil (USAN/INN) (+/-)-VERAPAMIL KBioGR_000233 C07188 Verapamilum [INN-Latin] 1394-EP2270011A1 LS-174 Cardibeltin 1394-EP2298742A1 1394-EP2298776A1 NCGC00016083-11 Cordilox (Salt/Mix) 1394-EP2316833A1 NCGC00024710-04 CP-165331 36622-29-4 NINDS_000399 DB00661 Prestwick1_000141 DSSTox_GSID_41152 AKOS005468962 SCHEMBL16742 FT-0080127 Arpamyl Spectrum5_001786 I06-0063 Isotopin Bio1_000914 Vasolan KBio2_005369 BRD-A09533288-003-05-6 Verapamil [USAN:INN:BAN] (?)-alpha-[3-[[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino]propyl]-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile KBioSS_000233 Calan (Salt/Mix) Verelan 1394-EP2272973A1 MolPort-000-721-258 CC-35584 CHEBI:77733 1394-EP2301931A1 NCGC00016083-15 Covera-hs (TN) 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile NCGC00024710-07 D 365 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile NSC 272306NA Dilacoran AB00053495_21 Quasar EINECS 200-145-1 alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile SMR001550201 GTPL2406 Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)- Tarka Iproveratril KBio1_000399 Bio2_000713 (+-)-Verapamil KBio3_000466 BSPBio_002358 Verapamilo [INN-Spanish] .alpha.-((N-Methyl-N-homoveratryl)-.gamma.-aminopropyl)-3,4-dimethoxyphenylacetonitrile Lekoptin Calcan Verexamil 1394-EP2277872A1 NCGC00016083-06 1394-EP2298764A1 NCGC00016083-09 cMAP_000023 1394-EP2314585A1 NCGC00016083-18 CP-16,533-1 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile NCGC00344584-01 D0R0FE 56949-77-0 Nu-Verap Drosteakard Akilen SC-17292 Falicard API0004584 Spectrum2_001740 HMS2089H17 Isoptin SR Berkatens Univer KBio2_002801 BPBio1_000268 Verapamil AL (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile KBioGR_001372 C27H38N2O4 Veraptin 1394-EP2272841A1 MCULE-3016077278 CAS-52-53-9 1394-EP2298779A1 NCGC00016083-13 Covera-HS 2-(3,4-Dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)(methyl)amino)-2-isopropylpentanenitrile, (+/-)- NCGC00024710-05 CP-165331 / CP-16533-1 5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile Novo-Veramil delta-365 AB00053495 Prestwick2_000141 DSSTox_RID_79636 alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile Securon FT-0603225 BDBM81939 ST50826367 IDI1_000399 Izoptin Bio1_001403 Veracim KBio2_007479 BSPBio_000242 VERAPAMIL, Dexverapamil, Verapamyl hydrochloride, VERAPAMIL HYDROCHLORIDE (A+/-)-Verapamil hydrochloride KBioSS_002346 Calan (TN) Verelan (TN) 1394-EP2275420A1 NCGC00016083-04 CCG-205311 1394-EP2301936A1 NCGC00016083-16 CP 16533-1 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile NCGC00024710-08 D-365 52-53-9 NSC272366 DivK1c_000399 AC-16016 r,s-verapamil EINECS 260-462-6 AN-41629 SPBio_001820 HMS1791L15 Isoptin (Salt/Mix) Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)- Tox21_110300 Isoptimo KBio2_000233 Bosoptin (TN) Verapamil (Na-Ca chanel blocker) (+/-) verapamil KBio3_002823 C-22537 Verapamilum 1007128-78-0 Lopac0_001237 Cardiagutt Verpamil 1394-EP2280008A2 NCGC00016083-07 1394-EP2298765A1 NCGC00016083-10 Cordilox 1394-EP2316832A1 NCGC00016083-20 CP-16533-1 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]methylamino}-2-(methy lethyl)pentanenitrile NCI60_020143 7482-85-1 Prestwick0_000141 DSSTox_CID_21152 Akilen (Salt/Mix) SCHEMBL13287282 Finoptin Apo-Verap Spectrum4_000906 HMS3402L15 Isoptine Bio1_000425 Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl- KBio2_004911 BRD-A09533288-001-02-7 Verapamil [USAN:BAN:INN] (2R)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile KBioGR_002343 Calan vera\|A 1394-EP2272972A1 MLS006011414 CAS_52-53-9 CCRIS 6749 1394-EP2301923A1 NCGC00016083-14 Covera-HS (Salt/Mix) 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile NCGC00024710-06 CTK8D7130 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile NSC 135784 Dignover AB00053495-20 Prestwick3_000141 DTXSID9041152 alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile SGTNSNPWRIOYBX-UHFFFAOYSA-N Geangin Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)- STK538085 IDI1_033983 KB-243163 Bio2_000233 Veramex KBio3_000465 BSPBio_001513 Verapamilo (R)-(+)-Verapamil Hydrochloride L001330 Calan SR Verelan PM 1394-EP2277865A1 NCGC00016083-05 [ Show all ]
Inchi Key	SGTNSNPWRIOYBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
PubChem CID	2520
ChEMBL	CHEMBL6966
IUPHAR	N/A
BindingDB	81939
DrugBank	DB00661
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1698.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	940.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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