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Ligand

NameCHEMBL1910324
Molecular formulaC45H71N13O13
IUPAC name(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3R)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
Molecular weight1002.14
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP-5.8
SynonymsBDBM50355549
Inchi KeyIVQBXMPXSLAIFC-OSMHAOILSA-N
Inchi IDInChI=1S/C45H71N13O13/c1-5-25(4)37(47)43(68)58-31(17-24(2)3)38(63)51-22-35(60)53-33(19-27-21-49-23-52-27)41(66)54-29(10-8-16-50-45(48)71)39(64)57-34(20-36(61)62)42(67)56-32(18-26-11-13-28(59)14-12-26)40(65)55-30(44(69)70)9-6-7-15-46/h11-14,21,23-25,29-34,37,59H,5-10,15-20,22,46-47H2,1-4H3,(H,49,52)(H,51,63)(H,53,60)(H,54,66)(H,55,65)(H,56,67)(H,57,64)(H,58,68)(H,61,62)(H,69,70)(H3,48,50,71)/t25-,29-,30-,31-,32-,33-,34-,37-/m1/s1
PubChem CID57392015
ChEMBLCHEMBL1910324
IUPHARN/A
BindingDB50355549
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
142879Prostaglandin F2-alpha receptorP37289PTGFRBos taurus (Bovine)362
142880Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366
142881Prostaglandin F2-alpha receptorQ28905PTGFROvis aries (Sheep)362

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