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Ligand

NameCHEMBL2370238
Molecular formulaC32H45N5O9
IUPAC name(2S)-1-[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]piperidine-2-carboxylic acid
Molecular weight643.738
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP3.2
SynonymsBDBM50026283
1-(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-3-carboxy-propionyl)-piperidine-2-carboxylic acid
Inchi KeyNJHZSMUSWCJQQG-QORCZRPOSA-N
Inchi IDInChI=1S/C32H45N5O9/c1-18(2)14-22(27(40)35-24(16-26(38)39)29(42)37-13-9-8-12-25(37)30(43)44)34-28(41)23(36-31(45)46-32(3,4)5)15-19-17-33-21-11-7-6-10-20(19)21/h6-7,10-11,17-18,22-25,33H,8-9,12-16H2,1-5H3,(H,34,41)(H,35,40)(H,36,45)(H,38,39)(H,43,44)/t22-,23-,24-,25-/m0/s1
PubChem CID73353022
ChEMBLCHEMBL2370238
IUPHARN/A
BindingDB50026283
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
224778Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
224779Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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