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GPCR

NameDelta-type opioid receptor
SpeciesSus scrofa (Pig)
GeneOPRD1
SynonymD-OR-1
DOR-1
DiseaseN/A for non-human GPCRs
Length228
Amino acid sequenceGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILVITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAAL
UniProtP79291
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4103
IUPHARN/A
DrugBankN/A

Ligand

Name64963-01-5
Molecular formulaC29H39N5O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight569.659
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-1.9
SynonymsAK552897
KS-00000TYE
ZINC14952096
(2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hydroxyphenyl)-2-isobutyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic acid
C-54723
[ Show all ]
Inchi KeyZHUJMSMQIPIPTF-JMBSJVKXSA-N
Inchi IDInChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1
PubChem CID10099522
ChEMBLN/A
IUPHARN/A
BindingDB82090
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.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.15 nMPMID6248635BindingDB

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