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Ligand

NameCHEMBL2028848
Molecular formulaC38H51N9O7S
IUPAC name2-[3-[(1R,11S,14S,17S,20S,23S)-23-(hydroxymethyl)-17-methyl-2,12,15,18,21,24-hexaoxo-20-(thiophen-2-ylmethyl)-3,13,16,19,22,25-hexazapentacyclo[23.8.0.03,11.04,9.027,32]tritriaconta-27,29,31-trien-14-yl]propyl]guanidine
Molecular weight777.942
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP1.1
SynonymsBDBM50407810
Inchi KeyIBICZXAWQIYOEV-SDWZWAOTSA-N
Inchi IDInChI=1S/C38H51N9O7S/c1-21-32(49)44-27(18-25-11-7-15-55-25)34(51)45-28(20-48)36(53)46-19-24-10-3-2-8-22(24)16-31(46)37(54)47-29-13-5-4-9-23(29)17-30(47)35(52)43-26(33(50)42-21)12-6-14-41-38(39)40/h2-3,7-8,10-11,15,21,23,26-31,48H,4-6,9,12-14,16-20H2,1H3,(H,42,50)(H,43,52)(H,44,49)(H,45,51)(H4,39,40,41)/t21-,23?,26-,27-,28-,29?,30-,31+/m0/s1
PubChem CID70689879
ChEMBLCHEMBL2028848
IUPHARN/A
BindingDB50407810
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
129135B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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