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Ligand

NameCID 136908877
Molecular formulaC29H17ClN7Na3O11S3
IUPAC nametrisodium;1-amino-4-[4-[[6-chloro-4-(3-sulfonatophenyl)imino-1H-1,3,5-triazin-2-ylidene]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Molecular weight840.092
Hydrogen bond acceptor15
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyVZPXDCIISFTYOM-UHFFFAOYSA-K
Inchi IDInChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
PubChem CID136908877
ChEMBLCHEMBL223344
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
368117P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
368120P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
368113P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
368121P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
368114P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
368115P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
368119P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
368116P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328
368118P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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