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Ligand

NameCHEMBL544284
Molecular formulaC33H35N5O6
IUPAC namebenzyl (2S)-2-[[(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-phenylpropanoate
Molecular weight597.672
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.6
Synonymsbenzyl 2-[1-[1-amino-3-carbamoyl-(1S)-propylcarboxamido]-2-(1-formyl-1H-3-indolyl)-(1R)-ethylcarboxamido]-3-phenyl-(2S)-propanoate, hydrochloride
H-Gln-D-Trp(CHO)-Phe-OBzl
AHJZCPKCOCDILL-IARZGTGTSA-N
CHEMBL1192961
L-Gln-1-Formyl-D-Trp-L-Phe-OBzl
[ Show all ]
Inchi KeyAHJZCPKCOCDILL-IARZGTGTSA-N
Inchi IDInChI=1S/C33H35N5O6/c34-26(15-16-30(35)40)31(41)36-27(18-24-19-38(21-39)29-14-8-7-13-25(24)29)32(42)37-28(17-22-9-3-1-4-10-22)33(43)44-20-23-11-5-2-6-12-23/h1-14,19,21,26-28H,15-18,20,34H2,(H2,35,40)(H,36,41)(H,37,42)/t26-,27+,28-/m0/s1
PubChem CID44304144
ChEMBLN/A
IUPHARN/A
BindingDB50002545
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5638Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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