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Ligand

NameCHEMBL413145
Molecular formulaC49H28F2N6O23S6-6
IUPAC name8-[[4-fluoro-3-[[3-[[3-[[2-fluoro-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1299.14
Hydrogen bond acceptor25
Hydrogen bond donor6
XlogP0.5
SynonymsBDBM50422739
Inchi KeyUDVIAMRWOLIUAE-UHFFFAOYSA-H
Inchi IDInChI=1S/C49H34F2N6O23S6/c50-33-9-7-25(47(60)54-35-11-13-39(83(69,70)71)31-19-29(81(63,64)65)21-41(43(31)35)85(75,76)77)17-37(33)56-45(58)23-3-1-5-27(15-23)52-49(62)53-28-6-2-4-24(16-28)46(59)57-38-18-26(8-10-34(38)51)48(61)55-36-12-14-40(84(72,73)74)32-20-30(82(66,67)68)22-42(44(32)36)86(78,79)80/h1-22H,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6
PubChem CID91900207
ChEMBLN/A
IUPHARN/A
BindingDB50422739
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.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
334480P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
334479P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
334478P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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