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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	148672-13-3
Molecular formula	C29H31N5O3
IUPAC name	N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
Molecular weight	497.599
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM79215 CTK8B9473 GR-127,935 LS-44235 N-[4-METHOXY-3-(4-METHYLPIPERAZIN-1-YL)-PHENYL]-4-[2-METHYL-4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENYL]BENZAMIDE NCGC00015476-04 SMR001230745 CCG-204874 EX-A1904 GTPL14 N-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride NCGC00025178-02 UNII-2LLH6CEB40 01,1'-Biphenyl-4-carboxamide, N-04-methoxy-3-((4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)- AJ-23652 AX8233421 CHEMBL15928 GR 127935 HCl Lopac-G-5793 N-[4-Methoxy-3-(4-methyl-1-piperazinyl) phenyl]-2'-methyl-4' -(5-methyl -1,2,4-oxadiazol-3-yl) [1,1'-biphenyl]-4-carboxamide NCGC00015476-02 RT-022632 2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amide BRD-K11911061-003-02-8 D06DZI GR-127935 MLS002153332 N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide NCGC00015476-05 ST24048407 (1,1'-Biphenyl)-4-carboxamide, N-(4-methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)- AC-27423 CHEBI:64114 FT-0730872 KB-258223 N-(4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide N-[4-methoxy-3-(4-methylpiperazino)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride PDSP1_000436 YDBCEBYHYKAFRX-UHFFFAOYSA-N AKOS016004225 BCP08033 cid_11497466 GR 127935 hydrochloride hydrate Lopac0_000790 N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride NCGC00015476-03 SCHEMBL7795263 2LLH6CEB40 C29H31N5O3 DTXSID90164044 GR127935 MolPort-003-941-511 N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide NCGC00025178-01 Tocris-1477 AC1L32QI ANW-62582 GR 127935 L000275 N-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide NCGC00015476-01 PDSP2_000434 ZINC598509 [ Show all ]
Inchi Key	YDBCEBYHYKAFRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
PubChem CID	107780
ChEMBL	CHEMBL15928
IUPHAR	14
BindingDB	79215
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	360.0 nM	PMID10737747	BindingDB,ChEMBL
IC50	425.0 nM	PMID10669578	BindingDB,ChEMBL
Ki	316.23 nM	PMID8057272	ChEMBL

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