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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	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	N-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide (Indoramin) S052 ZINC1567 3-[2-(4-Benzamidopiperidino)ethyl]indole AKOS015994528 C22H25N3O DB08950 Indoramin (USAN/INN) Indoraminum MLS001182179 N-(1-(2-Indol-3-ylethyl)-4-piperidyl)benzamide Oprea1_130443 SMR000567879 AC1L1PYQ Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)- GTPL501 Indoramina KS-00002WRM N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide PDSP2_001083 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(Indoramin) SCHEMBL49517 Baratol CCG-41146 DTXSID7048370 Indoramin [USAN:BAN:INN] Indoraminum [INN-Latin] MolPort-002-914-870 N-(1-[2-(1H-Indol-3-yl)ethyl]-4-piperidinyl)benzamide # PDSP1_001099 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]-piperidin-4-yl}-benzamide 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)-4-piperidinyl)benzamide NCGC00165810-01 SCHEMBL49518 BDBM50033113 CHEBI:135470 EINECS 248-041-5 Indoramin [USAN:INN:BAN] JXZZEXZZKAWDSP-UHFFFAOYSA-N N-[1-(2-Indol-3-ylethyl)-4-piperidyl]benzamide PDSP1_001423 UNII-0Z802HMY7H 26844-12-2 ACM26844122 Benzamide, N-[1-(2-indol-3-ylethyl)-4-piperidyl]- D02LHR HMS2851P23 Indoramine LS-27034 [ 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	226.0 nM	PMID1706716	BindingDB

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