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BDBM82412 ALPHA-MSH::CAS_10466-28-1::alpha MSH

SMILES: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=MBBQINYFFIKILA-UAZQEYIDSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 82412   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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0.0334n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
PDB

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PubMed
0.0334n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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20.7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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20.7n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
PDB

KEGG

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641n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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8.24E+3n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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8.24E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair