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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	Cogentinol
Molecular formula	C21H25NO
IUPAC name	3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
Molecular weight	307.437
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.5
Synonyms	KBioSS_000478 NCI60_003960 SCHEMBL35389 Tropine benzohydryl ether 3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane BDBM86698 CHEMBL116590 GIJXKZJWITVLHI-UHFFFAOYSA-N MCULE-5276546081 NK-02 Spectrum3_000316 3.alpha.-(Diphenylmethoxy)-1.alpha.H,5.alpha.H-tropane AC1Q57ZM Benztropinum Cogentine KBio2_000478 KBio3_001412 NCGC00162087-02 Pms Benztropine Spectrum_000078 1.alpha.H,5.alpha.H-Tropane, 3.alpha.-(diphenylmethoxy)- 8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, hydrobromide (1:1) Apo-Benztropine CCG-204289 DivK1c_000523 L000767 NCIOpen2_008292 SPBio_000092 3-diphenylmethoxy-8-methyl-8-azabicyclo[3.2.1]octane AC1L1DGX Benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether # Cobrentin IDI1_000523 KBio2_003046 MolPort-008-334-950 NSC_2344 Spectrum4_000251 (1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, (3-endo)- Akitan BSPBio_001912 KBioGR_000682 NCGC00162087-03 SBI-0050182.P004 STK931885 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane 80677-48-1 BBL033607 CHEBI:94353 EN300-51100 Lopac0_000194 NINDS_000523 Spectrum2_000106 3-diphenylmethoxytropane AC1Q3ZKJ Benzotropine Cogentin (Salt/Mix) KBio1_000523 KBio2_005614 NCGC00162087-01 Oprea1_754774 Spectrum5_000884 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, endo- AKOS005661487 CAS_132-17-2 CTK5E8002 [ Show all ]
Inchi Key	GIJXKZJWITVLHI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3
PubChem CID	2344
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86698
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	<10000.0 nM	PMID6225026	BindingDB

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