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Ligand

NameCHEMBL2067967
Molecular formulaC45H56N6O12
IUPAC name5-[[(2S)-2-[[6-[1-adamantylmethyl(methyl)carbamoyl]-1H-benzimidazole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Molecular weight872.973
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyAKOFALBWDOZICC-CEGCGHHPSA-N
Inchi IDInChI=1S/C38H39N5O7.C7H17NO5/c1-43(19-38-16-22-7-23(17-38)9-24(8-22)18-38)35(46)29-15-31-30(39-20-40-31)14-28(29)33(44)42-32(10-21-5-3-2-4-6-21)34(45)41-27-12-25(36(47)48)11-26(13-27)37(49)50;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-6,11-15,20,22-24,32H,7-10,16-19H2,1H3,(H,39,40)(H,41,45)(H,42,44)(H,47,48)(H,49,50);4-13H,2-3H2,1H3/t22?,23?,24?,32-,38?;4-,5+,6+,7+/m00/s1
PubChem CID70697029
ChEMBLCHEMBL2067967
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
7732Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
7731Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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