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Ligand

NameCID 136775315
Molecular formulaC35H20N4Na6O21S6
IUPAC namehexasodium;N-(4,8-disulfo-6-sulfonatonaphthalen-1-yl)-3-[[C-oxido-N-[3-[C-oxido-N-(8-sulfo-4,6-disulfonatonaphthalen-1-yl)carbonimidoyl]phenyl]carbonimidoyl]amino]benzenecarboximidate
Molecular weight1162.85
Hydrogen bond acceptor24
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyFMQURVHYTBGYSQ-UHFFFAOYSA-H
Inchi IDInChI=1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60;;;;;;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6
PubChem CID136775315
ChEMBLCHEMBL216504
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82199Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
82201P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
82200P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
82203P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
82202Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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