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Ligand

NameCHEMBL2067969
Molecular formulaC44H58N6O10
IUPAC name6-N-(1-adamantylmethyl)-5-N-[(2S)-1-[3,5-bis(hydroxymethyl)anilino]-1-oxo-3-phenylpropan-2-yl]-1H-benzimidazole-5,6-dicarboxamide;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Molecular weight830.98
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogPNone
SynonymsN/A
Inchi KeyDIMYYMHBIPKRMC-MKWMCNNZSA-N
Inchi IDInChI=1S/C37H41N5O5.C7H17NO5/c43-18-26-9-27(19-44)11-28(10-26)41-36(47)33(12-22-4-2-1-3-5-22)42-35(46)30-14-32-31(39-21-40-32)13-29(30)34(45)38-20-37-15-23-6-24(16-37)8-25(7-23)17-37;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-5,9-11,13-14,21,23-25,33,43-44H,6-8,12,15-20H2,(H,38,45)(H,39,40)(H,41,47)(H,42,46);4-13H,2-3H2,1H3/t23?,24?,25?,33-,37?;4-,5+,6+,7+/m00/s1
PubChem CID70692935
ChEMBLCHEMBL2067969
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
60892Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
60891Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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