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Ligand

NameAC1MKYJM
Molecular formulaC19H22N6O4S
IUPAC nameN-[3-[[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]phenyl]propanamide
Molecular weight430.483
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.0
SynonymsAB00834287-06
MLS001221668
ASN 04373674
Oprea1_083066
HMS2895F04
[ Show all ]
Inchi KeyHLYRLIQRILRLIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N6O4S/c1-5-13(26)20-11-7-6-8-12(9-11)21-14(27)10-30-18-22-16-15(23(18)2)17(28)25(4)19(29)24(16)3/h6-9H,5,10H2,1-4H3,(H,20,26)(H,21,27)
PubChem CID3186626
ChEMBLCHEMBL1470851
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118376Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
118378Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
118377Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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