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Ligand

NameNF-058
Molecular formulaC37H24N4Na6O21S6
IUPAC namehexasodium;N-(4,8-disulfo-6-sulfonatonaphthalen-1-yl)-4-methyl-3-[[N-[2-methyl-5-[C-oxido-N-(8-sulfo-4,6-disulfonatonaphthalen-1-yl)carbonimidoyl]phenyl]-C-oxidocarbonimidoyl]amino]benzenecarboximidate
Molecular weight1190.91
Hydrogen bond acceptor24
Hydrogen bond donor4
XlogPNone
Synonyms104869-32-1
Inchi KeyPKIBZPJHFBDBAY-UHFFFAOYSA-H
Inchi IDInChI=1S/C37H30N4O21S6.6Na/c1-17-3-5-19(35(42)38-25-7-9-29(65(51,52)53)23-13-21(63(45,46)47)15-31(33(23)25)67(57,58)59)11-27(17)40-37(44)41-28-12-20(6-4-18(28)2)36(43)39-26-8-10-30(66(54,55)56)24-14-22(64(48,49)50)16-32(34(24)26)68(60,61)62;;;;;;/h3-16H,1-2H3,(H,38,42)(H,39,43)(H2,40,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6
PubChem CID136880425
ChEMBLCHEMBL411554
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
452034P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
261908P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
261909P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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