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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	brimonidine
Molecular formula	C11H10BrN5
IUPAC name	5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Molecular weight	292.14
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.6
Synonyms	ZX-AS004769 UK-14,308 NC00638 AK-35795 NCGC00016069-08 BIDD:GT0649 NCGC00023468-05 brimonidinum PDSP2_000635 CCG-205290 ST2406733 CTK5B0525 UK 14,304-18 DSSTox_GSID_45221 FT-0650586 5-bromo-6-(2-imidazolidinylidenamino)quinoxaline IMED608142799 LP01216 A832477 UK14304 NCGC00016069-03 ANW-59812 NCGC00016069-11 NCGC00261901-01 C-18323 SCHEMBL24670 CHEMBL844 Tox21_110299 D0AE3X UK 14308 E6GNX3HHTE (5-bromoquinoxalin-6-yl)-2-imidazolin-2-ylamine GTPL5386 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline KS-000048KL 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- (9CI) MFCD00153878 AC1Q24IC Z802671510 AGN-190342 NCGC00016069-06 BC215787 NCGC00023468-02 Brimonidine [INN:BAN] Opera_ID_612 CAS-59803-98-4 SR-01000000023-2 CPD000058355 TRA0032007 DB00484 FT-0082636 5-brom-n-(4,5-dihydro-1h-imidazol-2-yl)chinoxalin-6-amin HMS3266O03 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine Lopac-U-104 70359-46-5 (tartrate[1:1]) MolPort-003-959-841 [3H]-UK14304 UK-14304 NCGC00016069-01 AKOS005267239 NCGC00016069-09 BRD-K68264559-001-10-0 NCGC00023468-06 BRN 0751629 SAM002548958 CHEBI:3175 TC-148557 D03ACG UK 14304 DSSTox_RID_80758 GS-3236 5-bromo-6-(2-imidazolin-2-ylamino) quinoxaline KB-197165 59803-98-4 LS-142950 AC-162 UNII-E6GNX3HHTE AC1Q26LW NCGC00016069-04 ARONIS24406 NCGC00016069-12 Brimonidine (bioerodible, extended release) NSC-318825 C07886 SMR000058355 cid_2435 Tox21_110299_1 D0GD9D UK-14,304-18 EN300-50880 HMS3259P09 5-bromo-6-(imidazolidinylideneamino)quinoxaline L000615 6-Quinoxalinamine,5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- MLS000069370 ZINC21303210 AJ-78420 NCGC00016069-07 BDBM34572 NCGC00023468-04 Brimonidine, 98% PDSP1_000640 CC-25204 SR-01000000023-4 CS-2892 UK 14,304 DSSTox_CID_25221 FT-0630717 5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine HY-B0659 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine Lopac0_001216 803B984 MRF-0000657 [3H]brimonidine UK14,304 NCGC00016069-02 AN-6804 NCGC00016069-10 brimonidina NCGC00023468-07 Bromoxidine SBB080815 Tocris-0425 D07540 UK 14304-18 DTXSID3045221 (5-Bromo-quinoxalin-6-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine GTPL520 5-Bromo-6-(2-imidazolin-2-ylamino)-quinoxaline KS-00000F2V 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)- MCULE-4542695850 AC1L1DO5 XYLJNLCSTIOKRM-UHFFFAOYSA-N AGN 190342 NCGC00016069-05 B4132 NCGC00016069-13 Brimonidine (INN) NSC318825 C11H10BrN5 SR-01000000023 CJ-16916 Tox21_501216 EU-0101216 HMS3263D14 5-Bromo-N-(2-imidazolin-2-yl)-6-quinoxalinamine LK 14304-18 6-Quinoxalinamine,5-dihydro-1H-imidazol-2-yl)- MLS001076349 [ Show all ]
Inchi Key	XYLJNLCSTIOKRM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
PubChem CID	2435
ChEMBL	CHEMBL844
IUPHAR	520
BindingDB	34572
DrugBank	DB00484
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2551.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1458.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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