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GLASS

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GPCR

Name	Neuropeptide S receptor
Species	Homo sapiens (Human)
Gene	NPSR1
Synonym	G-protein coupled receptor for asthma susceptibility vasopressin receptor-related receptor 1 G protein-coupled receptor 154 PGR14 NPS receptor G-protein coupled receptor 154 GPR154 G-protein coupled receptor PGR14 VRR1 [ Show all ]
Disease	Neurological disease
Length	371
Amino acid sequence	MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProt	Q6W5P4
Protein Data Bank	N/A
GPCR-HGmod model	Q6W5P4
3D structure model	This predicted structure model is from GPCR-EXP Q6W5P4.
BioLiP	N/A
Therapeutic Target Database	T20958
ChEMBL	CHEMBL5162
IUPHAR	302
DrugBank	BE0000948

Ligand

Name	ellipticine
Molecular formula	C17H14N2
IUPAC name	5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Molecular weight	246.313
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.8
Synonyms	DTXSID30199855 Elliptisine HMS3371L09 MLS000028487 33668-12-1 (hydrochloride) NCGC00015411-05 NCGC00022199-05 AC1Q2QHZ Prestwick0_000614 BPBio1_000604 SCHEMBL138079 CAS-519-23-3 UNII-117VLW7484 cid_3213 CS-5294 elliptecine FT-0632272 K00071 MolPort-001-839-649 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole NCGC00015411-08 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl- Neuro_000031 B7382 Prestwick3_000614 BRD-K85985071-001-22-3 SR-01000003083 CCG36483; NSC71795 ZINC1846592 D00DNY ellipticine, HCl HMS2230H10 LP00531 NCGC00015411-03 5,3-b]carbazole NCGC00022199-03 AC1L1FFE NSC71795 BDBM50004233 Probes2_000130 C-15019 TCMDC-125546 E 3380 EU-0100531 HY-15753 MLS000736786 5,11- paragraph signthorn(1/4)x>>u-6H-ssAa currency(2) cent[4,3-b]ssCsso NCGC00015411-06 519-23-3 NCGC00261216-01 AKOS024457578 Prestwick1_000614 BRD-K85985071-001-03-3 SMR000058370 CC-20854 VZ29809 CJ-30263 CTK8F9429 Ellipticin HMS1569L10 Lopac-E-3380 NCGC00015411-01 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole NCGC00015411-09 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl- NSC 71795 BC600625 Prestwick_194 BRN 0221300 SR-01000003083-2 CCRIS 2003 DB-052047 Ellipticine, synthetic HMS3261L03 LS-133282 117VLW7484 NCGC00015411-04 5-23-09-00417 (Beilstein Handbook Reference) NCGC00022199-04 AC1Q2GNZ Opera_ID_1748 BN0731 REGID_for_CID_3213 C09154 Tox21_500531 CHEMBL123 EINECS 208-264-0 EX-A2053 ICIG 770 MLS001076505 5,11-dimethyl-2H-pyrido[4,3-b]carbazole NCGC00015411-07 55042-50-7 (tartrate) NCI60_040685 AOB6851 Prestwick2_000614 BRD-K85985071-001-16-5 SPBio_002767 CCG-36483 WLN: T D6 B656 FN LMJ C1 J1 CP 5 CTSPAMFJBXKSOY-UHFFFAOYSA-N HMS2096L10 Lopac0_000531 NCGC00015411-02 5,11-Dimethylpyrido[4,3-b]carbazole NCGC00015411-10 6H-Pyrido[4,3-b]carbazole,5,11-dimethyl- NSC-71795 BCP13208 Probes1_000152 BSPBio_000548 SR-01000003083-6 CHEBI:4776 [ Show all ]
Inchi Key	CTSPAMFJBXKSOY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
PubChem CID	3213
ChEMBL	CHEMBL123
IUPHAR	N/A
BindingDB	50004233
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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