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GLASS

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GPCR

Name	P2Y purinoceptor 14
Species	Homo sapiens (Human)
Gene	P2RY14
Synonym	G-protein coupled receptor 105 GPR105 G protein-coupled receptor 105 P2Y purinoceptor 14 P2Y14 P2Y14 receptor purinergic receptor P2Y G protein coupled receptor for UDP-glucose UDP-glucose receptor [ Show all ]
Disease	N/A
Length	338
Amino acid sequence	MINSTSTQPPDESCSQNLLITQQIIPVLYCMVFIAGILLNGVSGWIFFYVPSSKSFIIYLKNIVIADFVMSLTFPFKILGDSGLGPWQLNVFVCRVSAVLFYVNMYVSIVFFGLISFDRYYKIVKPLWTSFIQSVSYSKLLSVIVWMLMLLLAVPNIILTNQSVREVTQIKCIELKSELGRKWHKASNYIFVAIFWIVFLLLIVFYTAITKKIFKSHLKSSRNSTSVKKKSSRNIFSIVFVFFVCFVPYHIARIPYTKSQTEAHYSCQSKEILRYMKEFTLLLSAANVCLDPIIYFFLCQPFREILCKKLHIPLKAQNDLDISRIKRGNTTLESTDTL
UniProt	Q15391
Protein Data Bank	N/A
GPCR-HGmod model	Q15391
3D structure model	This predicted structure model is from GPCR-EXP Q15391.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4518
IUPHAR	330
DrugBank	N/A

Ligand

Name	452105-23-6
Molecular formula	C23H27FN4O4
IUPAC name	5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular weight	442.491
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.9
Synonyms	5-[(Z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholino-propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide BDBM31095 QC-1159 UNII-ZZ6VH5MZ17 1H-Pyrrole-3-carboxamide, 5-((5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-N-((2S)-2-hydroxy-3-(4-morpholinyl)propyl)-2,4-dimethyl- 627908-92-3 CS-1159 SU-014813 ZZ6VH5MZ17 5-((Z)-(5-Fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide AK174882 MolPort-035-941-454 SU14813 double bond Z (S)-5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide 1H-Pyrrole-3-carboxamide, 5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-(4-morpholinyl)propyl)-2,4-dimethyl- 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide CHEMBL1721885 SCHEMBL902507 W-5641 4072AH AB0007984 HY-10501B SU-14813 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(2S)-3-morpholin-4-yl-2-oxidanyl-propyl]-1H-pyrrole-3-carboxamide AKOS025404896 NCGC00379021-01 SU14813 double bond Z\|452105-23-6\|SU 14813 (S,Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-N-(2-hydroxy-3-morpholinopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide 1H-Pyrrole-3-carboxamide,5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-(4-morpholinyl)propyl]-2,4-diMethyl- 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide cid_10138259 SU 14813 ZINC18825344 AJ-70672 KB-65342 SU14813 [ Show all ]
Inchi Key	CTNPALGJUAXMMC-PMFHANACSA-N
Inchi ID	InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
PubChem CID	10138259
ChEMBL	N/A
IUPHAR	N/A
BindingDB	31095
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	2000000.0 nM	N/A	BindingDB

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