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Ligand

NameBasilen Blue
Molecular formulaC29H17ClN7O11S3-3
IUPAC name1-amino-4-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Molecular weight771.123
Hydrogen bond acceptor18
Hydrogen bond donor4
XlogP4.1
Synonymscibacron blue (mixer, meta and para isomers
CID44285648
1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid1-Amino-4-{4-[4-chloro-6-(4-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-d
BDBM50029031
Inchi KeyJQYMGXZJTCOARG-UHFFFAOYSA-K
Inchi IDInChI=1S/C29H20ClN7O11S3/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)/p-3
PubChem CID44285647
ChEMBLN/A
IUPHARN/A
BindingDB50029031
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.

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
460644P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
157773P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
157775P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
157778P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
157771P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
157776P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
157774P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
157770P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328
157777P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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