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Ligand

NameCHEMBL413910
Molecular formulaC51H34N6Na6O25S6
IUPAC namehexasodium;8-[[4-methoxy-3-[[3-[[3-[[2-methoxy-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1461.15
Hydrogen bond acceptor25
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyAKHDXVNTAIPBJL-UHFFFAOYSA-H
Inchi IDInChI=1S/C51H40N6O25S6.6Na/c1-81-39-13-9-27(49(60)54-35-11-15-41(85(69,70)71)33-21-31(83(63,64)65)23-43(45(33)35)87(75,76)77)19-37(39)56-47(58)25-5-3-7-29(17-25)52-51(62)53-30-8-4-6-26(18-30)48(59)57-38-20-28(10-14-40(38)82-2)50(61)55-36-12-16-42(86(72,73)74)34-22-32(84(66,67)68)24-44(46(34)36)88(78,79)80;;;;;;/h3-24H,1-2H3,(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);;;;;;/q;6*+1/p-6
PubChem CID16155349
ChEMBLCHEMBL413910
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
7531P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
7532P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
7533P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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