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Ligand

NameCHEMBL325161
Molecular formulaC31H28N4O4
IUPAC nameethyl (2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-(quinoline-3-carbonylamino)propanoyl]amino]-2-phenylacetate
Molecular weight520.589
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.9
SynonymsBDBM50008630
{3-(1H-Indol-3-yl)-2-[(quinoline-3-carbonyl)-amino]-propionylamino}-phenyl-acetic acid ethyl ester
(R)-2-[(R)-3-(1H-Indol-3-yl)-2-(3-quinolinylcarbonylamino)propanoylamino]-2-phenylacetic acid ethyl ester
Inchi KeyBNTFCCSMRNSBKQ-VSGBNLITSA-N
Inchi IDInChI=1S/C31H28N4O4/c1-2-39-31(38)28(20-10-4-3-5-11-20)35-30(37)27(17-22-18-33-26-15-9-7-13-24(22)26)34-29(36)23-16-21-12-6-8-14-25(21)32-19-23/h3-16,18-19,27-28,33H,2,17H2,1H3,(H,34,36)(H,35,37)/t27-,28-/m1/s1
PubChem CID15104632
ChEMBLCHEMBL325161
IUPHARN/A
BindingDB50008630
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28430Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
28429Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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