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Ligand

NameCID 136825090
Molecular formulaC53H38N6Na6O23S6
IUPAC namehexasodium;3-[[[3-[[N-[3-[N-[5-[N-(4,8-disulfo-6-sulfonatonaphthalen-1-yl)-C-oxidocarbonimidoyl]-2-ethylphenyl]-C-oxidocarbonimidoyl]phenyl]-C-oxidocarbonimidoyl]amino]phenyl]-oxidomethylidene]amino]-4-ethyl-N-(4,6,8-trisulfonaphthalen-1-yl)benzenecarboximidate
Molecular weight1457.2
Hydrogen bond acceptor28
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyBHKMPGKJLBHTKQ-UHFFFAOYSA-H
Inchi IDInChI=1S/C53H44N6O23S6.6Na/c1-3-27-11-13-31(51(62)56-39-15-17-43(85(71,72)73)37-23-35(83(65,66)67)25-45(47(37)39)87(77,78)79)21-41(27)58-49(60)29-7-5-9-33(19-29)54-53(64)55-34-10-6-8-30(20-34)50(61)59-42-22-32(14-12-28(42)4-2)52(63)57-40-16-18-44(86(74,75)76)38-24-36(84(68,69)70)26-46(48(38)40)88(80,81)82;;;;;;/h5-26H,3-4H2,1-2H3,(H,56,62)(H,57,63)(H,58,60)(H,59,61)(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;;;/q;6*+1/p-6
PubChem CID136825090
ChEMBLCHEMBL276295
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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
23819P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
23817P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
23818P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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