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GPCR

NameDelta-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRD1
SynonymD-OR-1
DOR
opioid receptor
OP1
DOP
[ Show all ]
DiseaseCough
Overactive bladder disorder
Bladder disease
Moderate-to-severe pain
Diarrhea-predominant IBS
[ Show all ]
Length372
Amino acid sequenceMEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProtP41143
Protein Data Bank4rwd, 4rwa, 4n6h
GPCR-HGmod modelP41143
3D structure modelThis structure is from PDB ID 4rwd.
BioLiPBL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target DatabaseT58992
ChEMBLCHEMBL236
IUPHAR317
DrugBankBE0000420

Ligand

NameCHEMBL2370497
Molecular formulaC63H107N23O11
IUPAC name(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1362.7
Hydrogen bond acceptor18
Hydrogen bond donor20
XlogP-4.1
SynonymsBDBM50453782
Inchi KeyANJXEKUKGCQXNN-WPVLUZQDSA-N
Inchi IDInChI=1S/C63H107N23O11/c1-3-38(2)52(59(96)84-47(21-13-31-76-63(72)73)60(97)86-32-14-22-49(86)58(95)82-44(53(67)90)18-8-10-28-65)85-56(93)46(20-12-30-75-62(70)71)83-55(92)45(19-11-29-74-61(68)69)77-35-41(17-7-9-27-64)80-57(94)48(34-39-15-5-4-6-16-39)81-51(89)37-78-50(88)36-79-54(91)43(66)33-40-23-25-42(87)26-24-40/h4-6,15-16,23-26,38,41,43-49,52,77,87H,3,7-14,17-22,27-37,64-66H2,1-2H3,(H2,67,90)(H,78,88)(H,79,91)(H,80,94)(H,81,89)(H,82,95)(H,83,92)(H,84,96)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,41-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
PubChem CID73356135
ChEMBLCHEMBL2370497
IUPHARN/A
BindingDB50453782
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5053.0 nMPMID7658433BindingDB,ChEMBL

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