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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	Thyrotropin-releasing hormone receptor
Species	Mus musculus (Mouse)
Gene	Trhr
Synonym	Thyroliberin receptor TRH receptor TRH-R TRH-R1 TRH1 receptor
Disease	N/A for non-human GPCRs
Length	393
Amino acid sequence	MENDTVSEMNQTELQPQAAVALEYQVVTILLVVIICGLGIVGNIMVVLVVMRTKHMRTPTNCYLVSLAVADLMVLVAAGLPNITDSIYGSWVYGYVGCLCITYLQYLGINASSCSITAFTIERYIAICHPIKAQFLCTFSRAKKIIIFVWAFTSIYCMLWFFLLDLNISTYKNAVVVSCGYKISRNYYSPIYLMDFGVFYVVPMILATVLYGFIARILFLNPIPSDPKENSKMWKNDSIHQNKNLNLNATNRCFNSTVSSRKQVTKMLAVVVILFALLWMPYRTLVVVNSFLSSPFQENWFLLFCRICIYLNSAINPVIYNLMSQKFRAAFRKLCNCKQKPTEKAANYSVALNYSVIKESDRFSTELEDITVTDTYVSTTKVSFDDTCLASEN
UniProt	P21761
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	CHEMBL2467
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	PK 11195
Molecular formula	C21H21ClN2O
IUPAC name	N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
Molecular weight	352.862
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.5
Synonyms	MFCD00069334 NCGC00015205-04 NCGC00254354-01 RP 52028 [3H]PK 11195 85532-75-8 BRD-A41451487-001-01-3 DSSTox_RID_79625 HMS3260H17 HY-19567 MolPort-003-940-598 NCGC00015205-07 PDSP2_000632 SR-01000076240 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoquinoline-3-carboxamide AOB5180 C 0424 CTK8G2452 EX-A2448 LP00198 N-sec-butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide NCGC00024720-03 PK-11195; RP-52028 Tox21_300620 3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)- BN0423 CHEBI:73290 DSSTox_CID_21097 GTPL8703 HMS3266H15 MLS000028483 NCGC00015205-05 NCGC00260883-01 SCHEMBL117124 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl) AC1L1B9T BRD-A41451487-001-04-7 CHEMBL481537 DTXSID7041097 Interferon alfa (IFN-alpha) N-(butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide NCGC00015205-08 SR-01000076240-1 1-(2-chlorophenyl)-N-methyl-N-(sec-butyl)isoquinoline-3-carboxamide BDBM22032 CAS-85532-75-8 D03NOO FT-0724157 LS-85394 NCGC00015205-03 NCGC00024720-04 PK11195 Tox21_500198 85340-56-3 BPBio1_001278 CHEMBL15313 DSSTox_GSID_41097 HMS2234C05 HMS3372J02 MLS006010699 NCGC00015205-06 PDSP1_000637 SMR000058427 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide AKOS024458600 BRN 4264456 CS-0015789 EU-0100198 Lopac0_000198 N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide NCGC00024720-02 PK-11195 SR-01000076240-3 Biomol-NT_000287 CCG-204293 D0VN4K GL4857 [ Show all ]
Inchi Key	RAVIZVQZGXBOQO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
PubChem CID	1345
ChEMBL	CHEMBL481537
IUPHAR	N/A
BindingDB	22032
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Competition	44.0 %	PMID15664847	ChEMBL
Competition	56.0 %	PMID15664847	ChEMBL
Competition	73.0 %	PMID15664847	ChEMBL
Competition	90.0 %	PMID15664847	ChEMBL

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