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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Gamma-aminobutyric acid type B receptor subunit 1
Species	Rattus norvegicus (Rat)
Gene	Gabbr1
Synonym	Gb1 gamma-aminobutyric acid (GABA) B receptor 1 gamma-aminobutyric acid (GABA) B receptor GABABR1 GABAB1 GABA-BR1 GABA-B-R1 GABA-B receptor 1 GPRC3A [ Show all ]
Disease	N/A for non-human GPCRs
Length	991
Amino acid sequence	MLLLLLVPLFLRPLGAGGAQTPNATSEGCQIIHPPWEGGIRYRGLTRDQVKAINFLPVDYEIEYVCRGEREVVGPKVRKCLANGSWTDMDTPSRCVRICSKSYLTLENGKVFLTGGDLPALDGARVEFRCDPDFHLVGSSRSVCSQGQWSTPKPHCQVNRTPHSERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIHHDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVLSYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQTTEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGLFYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKTYDPSINCTVEEMTEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQEAPLAYDAIWALALALNKTSGGGGRSGVRLEDFNYNNQTITDQIYRAMNSSSFEGVSGHVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSPPADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQNSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRSQFPFVCQARLWLLGLGFSLGYGSMFTKIWWVHTVFTKKEEKKEWRKTLEPWKLYATVGLLVGMDVLTLAIWQIVDPLHRTIETFAKEEPKEDIDVSILPQLEHCSSKKMNTWLGELWSFAVSSDVQRRATVGGDSPICVWPAPESIFYGYKGLLLLLGIFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYITLVVLFVPKMRRLITRGEWQSETQDTMKTGSSTNNNEEEKSRLLEKENRELEKIIAEKEERVSELRHQLQSRQQLRSRRHPPTPPDPSGGLPRGPSEPPDRLSCDGSRVHLLYK
UniProt	Q9Z0U4
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	CHEMBL2753
IUPHAR	240
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	PK-11195 SR-01000076240-3 Biomol-NT_000287 CCG-204293 D0VN4K GL4857 Lopac0_000198 N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide NCGC00024720-02 RP 52028 [3H]PK 11195 85532-75-8 BRD-A41451487-001-01-3 DSSTox_RID_79625 HMS3260H17 MFCD00069334 NCGC00015205-04 NCGC00254354-01 SR-01000076240 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoquinoline-3-carboxamide AOB5180 C 0424 CTK8G2452 EX-A2448 HY-19567 MolPort-003-940-598 NCGC00015205-07 PDSP2_000632 PK-11195; RP-52028 Tox21_300620 3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)- BN0423 CHEBI:73290 DSSTox_CID_21097 GTPL8703 LP00198 N-sec-butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide NCGC00024720-03 SCHEMBL117124 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl) AC1L1B9T BRD-A41451487-001-04-7 CHEMBL481537 DTXSID7041097 HMS3266H15 MLS000028483 NCGC00015205-05 NCGC00260883-01 SR-01000076240-1 1-(2-chlorophenyl)-N-methyl-N-(sec-butyl)isoquinoline-3-carboxamide BDBM22032 CAS-85532-75-8 D03NOO FT-0724157 Interferon alfa (IFN-alpha) N-(butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide NCGC00015205-08 PK11195 Tox21_500198 85340-56-3 BPBio1_001278 CHEMBL15313 DSSTox_GSID_41097 HMS2234C05 LS-85394 NCGC00015205-03 NCGC00024720-04 SMR000058427 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide AKOS024458600 BRN 4264456 CS-0015789 EU-0100198 HMS3372J02 MLS006010699 NCGC00015205-06 PDSP1_000637 [ 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
Ki	1000.0 nM	PMID1848629	BindingDB

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