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Ligand

NameCHEMBL3609619
Molecular formulaC32H30F6N4O5
IUPAC name[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoate
Molecular weight664.605
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP4.5
SynonymsN/A
Inchi KeyADPQCWUGLGBPRO-ISCRSJHHSA-N
Inchi IDInChI=1S/C32H30F6N4O5/c1-17(41-29(45)25(39)12-18-6-8-23(43)9-7-18)28(44)42-27(13-20-15-40-26-5-3-2-4-24(20)26)30(46)47-16-19-10-21(31(33,34)35)14-22(11-19)32(36,37)38/h2-11,14-15,17,25,27,40,43H,12-13,16,39H2,1H3,(H,41,45)(H,42,44)/t17-,25+,27+/m1/s1
PubChem CID44176458
ChEMBLCHEMBL3609619
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463226Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
463230Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
463227Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
463231Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
463228Substance-P receptorP25103TACR1Homo sapiens (Human)407
463229Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
463232Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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