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Ligand

NameH-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-O-Bzl
Molecular formulaC52H62N8O9
IUPAC namebenzyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate
Molecular weight943.115
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP5.0
Synonymsbenzyl (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate
CHEMBL261608
C-terminal modified bifunctional peptide, 2
D0CK8C
BDBM21009
Inchi KeyAWLKNBWKVMBAKT-FDXPNMITSA-N
Inchi IDInChI=1S/C52H62N8O9/c1-32(2)25-42(49(65)59-44(52(68)69-31-36-15-8-5-9-16-36)28-37-29-54-41-18-11-10-17-39(37)41)58-50(66)45-19-12-24-60(45)51(67)43(27-34-13-6-4-7-14-34)57-46(62)30-55-47(63)33(3)56-48(64)40(53)26-35-20-22-38(61)23-21-35/h4-11,13-18,20-23,29,32-33,40,42-45,54,61H,12,19,24-28,30-31,53H2,1-3H3,(H,55,63)(H,56,64)(H,57,62)(H,58,66)(H,59,65)/t33-,40+,42+,43+,44+,45+/m1/s1
PubChem CID24768352
ChEMBLCHEMBL261608
IUPHARN/A
BindingDB21009
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16134Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
16136Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
16132Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
16133Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
16135Substance-P receptorP25103TACR1Homo sapiens (Human)407
16137Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
16138Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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