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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.
Go to the GPCR page and check other ligands which interact with it.
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	benalfocin
Molecular formula	C11H14ClN
IUPAC name	6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Molecular weight	195.69
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	2.9
Synonyms	NCGC00162330-01 Skf 86466 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine AC1L3XO4 Lopac0_001056 RSRUDTPYRBLHEO-UHFFFAOYSA-N UNII-YCN2U5UGIQ 6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine BDBM66983 CTK8D9445 MB01559 NCGC00015930-02 SK&F-86466 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl- 73943-10-9 CCG-205133 KB-293371 PDSP1_000725 SKF-86466 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine AC1Q3P63 CHEMBL123349 LS-186796 SCHEMBL8083358 YCN2U5UGIQ 6-chloro-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine D06UBB MLS002172470 NCGC00015930-03 SK-86466 6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride 7713-86-2 CHEBI:8986 Lopac-S-1563 PDSP2_000715 SMR001254100 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride AKOS030558322 cid_10220250 LS-187466 SK&F 86466 ZINC900633 C10970 DTXSID70224650 NCGC00015930-01 [ Show all ]
Inchi Key	RSRUDTPYRBLHEO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
PubChem CID	123981
ChEMBL	CHEMBL123349
IUPHAR	N/A
BindingDB	66983
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	100.0 nM	PMID2153822	ChEMBL

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