Showing entry for Buprenorphine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0041045
Compound NameBuprenorphine
Structure
FormulaC29H41NO4
InchiKeyRMRJXGBAOAMLHD-IHFGGWKQSA-N
SMILESCO[C@]12CC[C@]3(C[C@@H]1[C@@](C(C)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O
InchiInChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1
IUPAC
Molecular Weight467.3
Pubchem Id644073
Chembl IdCHEMBL560511
Targets of Information Source
DrugBank DB00921
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 approved; illicit; investigational; vet_approved partial agonist
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 approved; illicit; investigational; vet_approved antagonist
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 approved; illicit; investigational; vet_approved antagonist
P41146 BXGT010226 Nociceptin receptor reviewed G-protein coupled receptor OPRL1 approved; illicit; investigational; vet_approved -
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50026603
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT010226 Nociceptin receptor reviewed G-protein coupled receptor OPRL1 77 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - - - 10
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 - - - >10000
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 6.1 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 1.5 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 2.5 - - -
reviewed BXGT010226 Nociceptin receptor reviewed G-protein coupled receptor OPRL1 - - - 116
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 - - - >10000
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - - - 2.3
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 4.5 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 0.8 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - 1.7 - -
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 - 0.9 - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 - 1.2 - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - - - 15
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - 0.59 - -
reviewed BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 2.9 - - -
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 - - - 0.11
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 - 15 - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 - - - 0.18
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 0.21 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 0.62 - - -
reviewed BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 0.067 - - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 - - - 0.27
reviewed BXGT010224 Kappa-type opioid receptor reviewed OPRK1 - 8.1 - -
reviewed BXGT009731 Mu-type opioid receptor reviewed Oprm1 0.19 - - -
reviewed BXGT010343 Mu-type opioid receptor reviewed Oprm1 - - - 3.6
reviewed BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 1.6 - - -
CHEMBL CHEMBL560511
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ki '=' 0 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00402 Opium poppy Papaver somniferum Herbs and Spices
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease