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BDBM50307256 CHEMBL604373::GWTLNSAGYLLGPrPKPQQwFwLL-CONH2::Gal(1-13)-Std I

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(N)=O

InChI Key: InChIKey=LTAFNTKZCARRFJ-HPWFANMZSA-N

Data: 5 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 5 hits for monomerid = 50307256   
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
GALR1


(Homo sapiens (Human))
BDBM50307256
PNG
(CHEMBL604373 | GWTLNSAGYLLGPrPKPQQwFwLL-CONH2 | Ga...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(N)=O |r,wU:181.202,169.182,155.166,150.159,134.151,118.130,107.113,96.110,80.91,64.74,4.4,wD:177.186,197.209,161.174,126.138,89.94,73.77,55.65,41.56,30.40,16.28,8.12,(-10.91,-15.15,;-10.14,-13.82,;-10.9,-12.49,;-8.59,-13.83,;-7.82,-12.49,;-6.29,-12.5,;-5.52,-13.84,;-6.29,-15.17,;-3.97,-13.84,;-3.2,-12.51,;-3.97,-11.17,;-3.19,-9.85,;-5.5,-11.18,;-3.21,-15.18,;-1.67,-15.19,;-.9,-13.86,;-.9,-16.52,;-1.68,-17.86,;-1.62,-19.4,;-.32,-20.25,;-.73,-21.73,;-2.27,-21.8,;-3.25,-22.99,;-4.76,-22.74,;-5.3,-21.3,;-4.34,-20.11,;-2.81,-20.36,;.63,-16.54,;1.4,-17.87,;.62,-19.21,;2.94,-17.88,;3.72,-16.55,;2.94,-15.21,;1.41,-15.2,;.65,-13.86,;1.42,-12.54,;2.96,-12.53,;3.73,-13.87,;3.7,-19.21,;5.25,-19.16,;5.97,-17.8,;6.06,-20.47,;5.33,-21.83,;3.79,-21.88,;2.85,-20.67,;1.4,-21.19,;1.46,-22.73,;.34,-23.8,;.71,-25.29,;2.19,-25.72,;3.3,-24.65,;2.93,-23.16,;7.6,-20.42,;8.41,-21.74,;7.69,-23.08,;9.94,-21.67,;10.68,-20.31,;9.86,-19.01,;10.59,-17.64,;12.12,-17.6,;9.77,-16.33,;10.76,-22.98,;12.31,-22.93,;13.03,-21.57,;13.11,-24.23,;12.39,-25.6,;10.86,-25.65,;10.13,-27.01,;10.94,-28.32,;8.58,-27.06,;14.66,-24.17,;15.38,-22.81,;14.55,-21.5,;16.91,-22.75,;17.56,-21.34,;19.18,-21.81,;19.22,-23.48,;17.65,-24.07,;17.55,-25.6,;16.18,-26.3,;18.85,-26.45,;18.77,-27.98,;17.39,-28.68,;17.29,-30.22,;15.92,-30.91,;15.83,-32.45,;20.22,-25.75,;21.51,-26.6,;21.42,-28.13,;22.89,-25.91,;22.89,-24.35,;24.56,-24.11,;25.29,-25.62,;24.1,-26.8,;24.2,-28.34,;22.93,-29.19,;25.62,-28.92,;26.9,-28.07,;28.28,-28.74,;29.56,-27.88,;30.94,-28.56,;32.23,-27.69,;32.11,-26.16,;33.6,-28.38,;25.82,-30.45,;27.24,-31.05,;28.52,-30.19,;27.44,-32.58,;26.15,-33.45,;26.89,-34.98,;28.55,-34.74,;28.85,-33.08,;30.19,-32.31,;30.19,-30.77,;31.52,-33.08,;31.52,-34.62,;32.86,-35.39,;34.2,-34.61,;32.86,-36.92,;31.52,-37.7,;30.19,-36.92,;28.86,-37.7,;30.19,-35.39,;34.2,-37.7,;34.2,-39.24,;32.86,-40.01,;35.54,-40.01,;36.87,-39.23,;36.87,-37.69,;38.2,-36.92,;35.53,-36.92,;35.54,-41.54,;36.87,-42.31,;36.87,-43.85,;38.2,-41.54,;39.53,-42.32,;39.53,-43.84,;38.22,-44.61,;38.21,-46.16,;39.56,-46.92,;39.56,-48.46,;40.89,-46.14,;40.87,-44.61,;38.2,-39.99,;39.52,-39.23,;40.86,-40,;39.52,-37.69,;40.86,-36.91,;40.86,-35.37,;39.52,-34.61,;42.19,-34.61,;43.53,-35.37,;42.19,-33.07,;43.53,-32.29,;43.53,-30.76,;44.86,-33.06,;44.86,-34.6,;46.19,-35.37,;46.19,-32.28,;47.52,-33.05,;47.52,-34.6,;48.86,-32.28,;48.86,-30.74,;47.52,-29.97,;46.19,-30.74,;47.52,-28.44,;50.19,-33.05,;51.54,-32.29,;51.54,-30.74,;52.86,-33.05,;52.86,-34.59,;51.54,-35.37,;51.54,-36.91,;50.19,-34.59,;54.2,-32.28,;55.53,-33.05,;55.53,-34.59,;56.86,-32.28,;58.19,-33.04,;59.53,-32.27,;59.53,-30.73,;60.86,-33.04,;60.86,-34.58,;59.53,-35.35,;58.13,-34.73,;57.11,-35.88,;57.88,-37.21,;57.4,-38.68,;58.43,-39.82,;59.95,-39.49,;60.41,-38.03,;59.37,-36.89,;62.19,-32.28,;63.53,-33.05,;63.53,-34.58,;64.86,-32.28,;66.19,-33.04,;56.86,-30.74,;58.19,-29.97,;55.53,-29.97,;-8.59,-11.16,;-10.13,-11.15,;-7.81,-9.83,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM50307256
PNG
(CHEMBL604373 | GWTLNSAGYLLGPrPKPQQwFwLL-CONH2 | Ga...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(N)=O |r,wU:181.202,169.182,155.166,150.159,134.151,118.130,107.113,96.110,80.91,64.74,4.4,wD:177.186,197.209,161.174,126.138,89.94,73.77,55.65,41.56,30.40,16.28,8.12,(-10.91,-15.15,;-10.14,-13.82,;-10.9,-12.49,;-8.59,-13.83,;-7.82,-12.49,;-6.29,-12.5,;-5.52,-13.84,;-6.29,-15.17,;-3.97,-13.84,;-3.2,-12.51,;-3.97,-11.17,;-3.19,-9.85,;-5.5,-11.18,;-3.21,-15.18,;-1.67,-15.19,;-.9,-13.86,;-.9,-16.52,;-1.68,-17.86,;-1.62,-19.4,;-.32,-20.25,;-.73,-21.73,;-2.27,-21.8,;-3.25,-22.99,;-4.76,-22.74,;-5.3,-21.3,;-4.34,-20.11,;-2.81,-20.36,;.63,-16.54,;1.4,-17.87,;.62,-19.21,;2.94,-17.88,;3.72,-16.55,;2.94,-15.21,;1.41,-15.2,;.65,-13.86,;1.42,-12.54,;2.96,-12.53,;3.73,-13.87,;3.7,-19.21,;5.25,-19.16,;5.97,-17.8,;6.06,-20.47,;5.33,-21.83,;3.79,-21.88,;2.85,-20.67,;1.4,-21.19,;1.46,-22.73,;.34,-23.8,;.71,-25.29,;2.19,-25.72,;3.3,-24.65,;2.93,-23.16,;7.6,-20.42,;8.41,-21.74,;7.69,-23.08,;9.94,-21.67,;10.68,-20.31,;9.86,-19.01,;10.59,-17.64,;12.12,-17.6,;9.77,-16.33,;10.76,-22.98,;12.31,-22.93,;13.03,-21.57,;13.11,-24.23,;12.39,-25.6,;10.86,-25.65,;10.13,-27.01,;10.94,-28.32,;8.58,-27.06,;14.66,-24.17,;15.38,-22.81,;14.55,-21.5,;16.91,-22.75,;17.56,-21.34,;19.18,-21.81,;19.22,-23.48,;17.65,-24.07,;17.55,-25.6,;16.18,-26.3,;18.85,-26.45,;18.77,-27.98,;17.39,-28.68,;17.29,-30.22,;15.92,-30.91,;15.83,-32.45,;20.22,-25.75,;21.51,-26.6,;21.42,-28.13,;22.89,-25.91,;22.89,-24.35,;24.56,-24.11,;25.29,-25.62,;24.1,-26.8,;24.2,-28.34,;22.93,-29.19,;25.62,-28.92,;26.9,-28.07,;28.28,-28.74,;29.56,-27.88,;30.94,-28.56,;32.23,-27.69,;32.11,-26.16,;33.6,-28.38,;25.82,-30.45,;27.24,-31.05,;28.52,-30.19,;27.44,-32.58,;26.15,-33.45,;26.89,-34.98,;28.55,-34.74,;28.85,-33.08,;30.19,-32.31,;30.19,-30.77,;31.52,-33.08,;31.52,-34.62,;32.86,-35.39,;34.2,-34.61,;32.86,-36.92,;31.52,-37.7,;30.19,-36.92,;28.86,-37.7,;30.19,-35.39,;34.2,-37.7,;34.2,-39.24,;32.86,-40.01,;35.54,-40.01,;36.87,-39.23,;36.87,-37.69,;38.2,-36.92,;35.53,-36.92,;35.54,-41.54,;36.87,-42.31,;36.87,-43.85,;38.2,-41.54,;39.53,-42.32,;39.53,-43.84,;38.22,-44.61,;38.21,-46.16,;39.56,-46.92,;39.56,-48.46,;40.89,-46.14,;40.87,-44.61,;38.2,-39.99,;39.52,-39.23,;40.86,-40,;39.52,-37.69,;40.86,-36.91,;40.86,-35.37,;39.52,-34.61,;42.19,-34.61,;43.53,-35.37,;42.19,-33.07,;43.53,-32.29,;43.53,-30.76,;44.86,-33.06,;44.86,-34.6,;46.19,-35.37,;46.19,-32.28,;47.52,-33.05,;47.52,-34.6,;48.86,-32.28,;48.86,-30.74,;47.52,-29.97,;46.19,-30.74,;47.52,-28.44,;50.19,-33.05,;51.54,-32.29,;51.54,-30.74,;52.86,-33.05,;52.86,-34.59,;51.54,-35.37,;51.54,-36.91,;50.19,-34.59,;54.2,-32.28,;55.53,-33.05,;55.53,-34.59,;56.86,-32.28,;58.19,-33.04,;59.53,-32.27,;59.53,-30.73,;60.86,-33.04,;60.86,-34.58,;59.53,-35.35,;58.13,-34.73,;57.11,-35.88,;57.88,-37.21,;57.4,-38.68,;58.43,-39.82,;59.95,-39.49,;60.41,-38.03,;59.37,-36.89,;62.19,-32.28,;63.53,-33.05,;63.53,-34.58,;64.86,-32.28,;66.19,-33.04,;56.86,-30.74,;58.19,-29.97,;55.53,-29.97,;-8.59,-11.16,;-10.13,-11.15,;-7.81,-9.83,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair
GALR3


(RAT)
BDBM50307256
PNG
(CHEMBL604373 | GWTLNSAGYLLGPrPKPQQwFwLL-CONH2 | Ga...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(N)=O |r,wU:181.202,169.182,155.166,150.159,134.151,118.130,107.113,96.110,80.91,64.74,4.4,wD:177.186,197.209,161.174,126.138,89.94,73.77,55.65,41.56,30.40,16.28,8.12,(-10.91,-15.15,;-10.14,-13.82,;-10.9,-12.49,;-8.59,-13.83,;-7.82,-12.49,;-6.29,-12.5,;-5.52,-13.84,;-6.29,-15.17,;-3.97,-13.84,;-3.2,-12.51,;-3.97,-11.17,;-3.19,-9.85,;-5.5,-11.18,;-3.21,-15.18,;-1.67,-15.19,;-.9,-13.86,;-.9,-16.52,;-1.68,-17.86,;-1.62,-19.4,;-.32,-20.25,;-.73,-21.73,;-2.27,-21.8,;-3.25,-22.99,;-4.76,-22.74,;-5.3,-21.3,;-4.34,-20.11,;-2.81,-20.36,;.63,-16.54,;1.4,-17.87,;.62,-19.21,;2.94,-17.88,;3.72,-16.55,;2.94,-15.21,;1.41,-15.2,;.65,-13.86,;1.42,-12.54,;2.96,-12.53,;3.73,-13.87,;3.7,-19.21,;5.25,-19.16,;5.97,-17.8,;6.06,-20.47,;5.33,-21.83,;3.79,-21.88,;2.85,-20.67,;1.4,-21.19,;1.46,-22.73,;.34,-23.8,;.71,-25.29,;2.19,-25.72,;3.3,-24.65,;2.93,-23.16,;7.6,-20.42,;8.41,-21.74,;7.69,-23.08,;9.94,-21.67,;10.68,-20.31,;9.86,-19.01,;10.59,-17.64,;12.12,-17.6,;9.77,-16.33,;10.76,-22.98,;12.31,-22.93,;13.03,-21.57,;13.11,-24.23,;12.39,-25.6,;10.86,-25.65,;10.13,-27.01,;10.94,-28.32,;8.58,-27.06,;14.66,-24.17,;15.38,-22.81,;14.55,-21.5,;16.91,-22.75,;17.56,-21.34,;19.18,-21.81,;19.22,-23.48,;17.65,-24.07,;17.55,-25.6,;16.18,-26.3,;18.85,-26.45,;18.77,-27.98,;17.39,-28.68,;17.29,-30.22,;15.92,-30.91,;15.83,-32.45,;20.22,-25.75,;21.51,-26.6,;21.42,-28.13,;22.89,-25.91,;22.89,-24.35,;24.56,-24.11,;25.29,-25.62,;24.1,-26.8,;24.2,-28.34,;22.93,-29.19,;25.62,-28.92,;26.9,-28.07,;28.28,-28.74,;29.56,-27.88,;30.94,-28.56,;32.23,-27.69,;32.11,-26.16,;33.6,-28.38,;25.82,-30.45,;27.24,-31.05,;28.52,-30.19,;27.44,-32.58,;26.15,-33.45,;26.89,-34.98,;28.55,-34.74,;28.85,-33.08,;30.19,-32.31,;30.19,-30.77,;31.52,-33.08,;31.52,-34.62,;32.86,-35.39,;34.2,-34.61,;32.86,-36.92,;31.52,-37.7,;30.19,-36.92,;28.86,-37.7,;30.19,-35.39,;34.2,-37.7,;34.2,-39.24,;32.86,-40.01,;35.54,-40.01,;36.87,-39.23,;36.87,-37.69,;38.2,-36.92,;35.53,-36.92,;35.54,-41.54,;36.87,-42.31,;36.87,-43.85,;38.2,-41.54,;39.53,-42.32,;39.53,-43.84,;38.22,-44.61,;38.21,-46.16,;39.56,-46.92,;39.56,-48.46,;40.89,-46.14,;40.87,-44.61,;38.2,-39.99,;39.52,-39.23,;40.86,-40,;39.52,-37.69,;40.86,-36.91,;40.86,-35.37,;39.52,-34.61,;42.19,-34.61,;43.53,-35.37,;42.19,-33.07,;43.53,-32.29,;43.53,-30.76,;44.86,-33.06,;44.86,-34.6,;46.19,-35.37,;46.19,-32.28,;47.52,-33.05,;47.52,-34.6,;48.86,-32.28,;48.86,-30.74,;47.52,-29.97,;46.19,-30.74,;47.52,-28.44,;50.19,-33.05,;51.54,-32.29,;51.54,-30.74,;52.86,-33.05,;52.86,-34.59,;51.54,-35.37,;51.54,-36.91,;50.19,-34.59,;54.2,-32.28,;55.53,-33.05,;55.53,-34.59,;56.86,-32.28,;58.19,-33.04,;59.53,-32.27,;59.53,-30.73,;60.86,-33.04,;60.86,-34.58,;59.53,-35.35,;58.13,-34.73,;57.11,-35.88,;57.88,-37.21,;57.4,-38.68,;58.43,-39.82,;59.95,-39.49,;60.41,-38.03,;59.37,-36.89,;62.19,-32.28,;63.53,-33.05,;63.53,-34.58,;64.86,-32.28,;66.19,-33.04,;56.86,-30.74,;58.19,-29.97,;55.53,-29.97,;-8.59,-11.16,;-10.13,-11.15,;-7.81,-9.83,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 272: 31949-52 (1997)


Article DOI: 10.1021/acschembio.5b00291
BindingDB Entry DOI: 10.7270/Q21Z42ZG
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM50307256
PNG
(CHEMBL604373 | GWTLNSAGYLLGPrPKPQQwFwLL-CONH2 | Ga...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(N)=O |r,wU:181.202,169.182,155.166,150.159,134.151,118.130,107.113,96.110,80.91,64.74,4.4,wD:177.186,197.209,161.174,126.138,89.94,73.77,55.65,41.56,30.40,16.28,8.12,(-10.91,-15.15,;-10.14,-13.82,;-10.9,-12.49,;-8.59,-13.83,;-7.82,-12.49,;-6.29,-12.5,;-5.52,-13.84,;-6.29,-15.17,;-3.97,-13.84,;-3.2,-12.51,;-3.97,-11.17,;-3.19,-9.85,;-5.5,-11.18,;-3.21,-15.18,;-1.67,-15.19,;-.9,-13.86,;-.9,-16.52,;-1.68,-17.86,;-1.62,-19.4,;-.32,-20.25,;-.73,-21.73,;-2.27,-21.8,;-3.25,-22.99,;-4.76,-22.74,;-5.3,-21.3,;-4.34,-20.11,;-2.81,-20.36,;.63,-16.54,;1.4,-17.87,;.62,-19.21,;2.94,-17.88,;3.72,-16.55,;2.94,-15.21,;1.41,-15.2,;.65,-13.86,;1.42,-12.54,;2.96,-12.53,;3.73,-13.87,;3.7,-19.21,;5.25,-19.16,;5.97,-17.8,;6.06,-20.47,;5.33,-21.83,;3.79,-21.88,;2.85,-20.67,;1.4,-21.19,;1.46,-22.73,;.34,-23.8,;.71,-25.29,;2.19,-25.72,;3.3,-24.65,;2.93,-23.16,;7.6,-20.42,;8.41,-21.74,;7.69,-23.08,;9.94,-21.67,;10.68,-20.31,;9.86,-19.01,;10.59,-17.64,;12.12,-17.6,;9.77,-16.33,;10.76,-22.98,;12.31,-22.93,;13.03,-21.57,;13.11,-24.23,;12.39,-25.6,;10.86,-25.65,;10.13,-27.01,;10.94,-28.32,;8.58,-27.06,;14.66,-24.17,;15.38,-22.81,;14.55,-21.5,;16.91,-22.75,;17.56,-21.34,;19.18,-21.81,;19.22,-23.48,;17.65,-24.07,;17.55,-25.6,;16.18,-26.3,;18.85,-26.45,;18.77,-27.98,;17.39,-28.68,;17.29,-30.22,;15.92,-30.91,;15.83,-32.45,;20.22,-25.75,;21.51,-26.6,;21.42,-28.13,;22.89,-25.91,;22.89,-24.35,;24.56,-24.11,;25.29,-25.62,;24.1,-26.8,;24.2,-28.34,;22.93,-29.19,;25.62,-28.92,;26.9,-28.07,;28.28,-28.74,;29.56,-27.88,;30.94,-28.56,;32.23,-27.69,;32.11,-26.16,;33.6,-28.38,;25.82,-30.45,;27.24,-31.05,;28.52,-30.19,;27.44,-32.58,;26.15,-33.45,;26.89,-34.98,;28.55,-34.74,;28.85,-33.08,;30.19,-32.31,;30.19,-30.77,;31.52,-33.08,;31.52,-34.62,;32.86,-35.39,;34.2,-34.61,;32.86,-36.92,;31.52,-37.7,;30.19,-36.92,;28.86,-37.7,;30.19,-35.39,;34.2,-37.7,;34.2,-39.24,;32.86,-40.01,;35.54,-40.01,;36.87,-39.23,;36.87,-37.69,;38.2,-36.92,;35.53,-36.92,;35.54,-41.54,;36.87,-42.31,;36.87,-43.85,;38.2,-41.54,;39.53,-42.32,;39.53,-43.84,;38.22,-44.61,;38.21,-46.16,;39.56,-46.92,;39.56,-48.46,;40.89,-46.14,;40.87,-44.61,;38.2,-39.99,;39.52,-39.23,;40.86,-40,;39.52,-37.69,;40.86,-36.91,;40.86,-35.37,;39.52,-34.61,;42.19,-34.61,;43.53,-35.37,;42.19,-33.07,;43.53,-32.29,;43.53,-30.76,;44.86,-33.06,;44.86,-34.6,;46.19,-35.37,;46.19,-32.28,;47.52,-33.05,;47.52,-34.6,;48.86,-32.28,;48.86,-30.74,;47.52,-29.97,;46.19,-30.74,;47.52,-28.44,;50.19,-33.05,;51.54,-32.29,;51.54,-30.74,;52.86,-33.05,;52.86,-34.59,;51.54,-35.37,;51.54,-36.91,;50.19,-34.59,;54.2,-32.28,;55.53,-33.05,;55.53,-34.59,;56.86,-32.28,;58.19,-33.04,;59.53,-32.27,;59.53,-30.73,;60.86,-33.04,;60.86,-34.58,;59.53,-35.35,;58.13,-34.73,;57.11,-35.88,;57.88,-37.21,;57.4,-38.68,;58.43,-39.82,;59.95,-39.49,;60.41,-38.03,;59.37,-36.89,;62.19,-32.28,;63.53,-33.05,;63.53,-34.58,;64.86,-32.28,;66.19,-33.04,;56.86,-30.74,;58.19,-29.97,;55.53,-29.97,;-8.59,-11.16,;-10.13,-11.15,;-7.81,-9.83,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.10n/an/an/an/an/an/an/an/a



The Schering-Plough Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 52: 337-43 (1997)


Article DOI: 10.1124/mol.52.3.337
BindingDB Entry DOI: 10.7270/Q23T9FRG
More data for this
Ligand-Target Pair
Galanin receptor 2


(RAT)
BDBM50307256
PNG
(CHEMBL604373 | GWTLNSAGYLLGPrPKPQQwFwLL-CONH2 | Ga...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(N)=O |r,wU:181.202,169.182,155.166,150.159,134.151,118.130,107.113,96.110,80.91,64.74,4.4,wD:177.186,197.209,161.174,126.138,89.94,73.77,55.65,41.56,30.40,16.28,8.12,(-10.91,-15.15,;-10.14,-13.82,;-10.9,-12.49,;-8.59,-13.83,;-7.82,-12.49,;-6.29,-12.5,;-5.52,-13.84,;-6.29,-15.17,;-3.97,-13.84,;-3.2,-12.51,;-3.97,-11.17,;-3.19,-9.85,;-5.5,-11.18,;-3.21,-15.18,;-1.67,-15.19,;-.9,-13.86,;-.9,-16.52,;-1.68,-17.86,;-1.62,-19.4,;-.32,-20.25,;-.73,-21.73,;-2.27,-21.8,;-3.25,-22.99,;-4.76,-22.74,;-5.3,-21.3,;-4.34,-20.11,;-2.81,-20.36,;.63,-16.54,;1.4,-17.87,;.62,-19.21,;2.94,-17.88,;3.72,-16.55,;2.94,-15.21,;1.41,-15.2,;.65,-13.86,;1.42,-12.54,;2.96,-12.53,;3.73,-13.87,;3.7,-19.21,;5.25,-19.16,;5.97,-17.8,;6.06,-20.47,;5.33,-21.83,;3.79,-21.88,;2.85,-20.67,;1.4,-21.19,;1.46,-22.73,;.34,-23.8,;.71,-25.29,;2.19,-25.72,;3.3,-24.65,;2.93,-23.16,;7.6,-20.42,;8.41,-21.74,;7.69,-23.08,;9.94,-21.67,;10.68,-20.31,;9.86,-19.01,;10.59,-17.64,;12.12,-17.6,;9.77,-16.33,;10.76,-22.98,;12.31,-22.93,;13.03,-21.57,;13.11,-24.23,;12.39,-25.6,;10.86,-25.65,;10.13,-27.01,;10.94,-28.32,;8.58,-27.06,;14.66,-24.17,;15.38,-22.81,;14.55,-21.5,;16.91,-22.75,;17.56,-21.34,;19.18,-21.81,;19.22,-23.48,;17.65,-24.07,;17.55,-25.6,;16.18,-26.3,;18.85,-26.45,;18.77,-27.98,;17.39,-28.68,;17.29,-30.22,;15.92,-30.91,;15.83,-32.45,;20.22,-25.75,;21.51,-26.6,;21.42,-28.13,;22.89,-25.91,;22.89,-24.35,;24.56,-24.11,;25.29,-25.62,;24.1,-26.8,;24.2,-28.34,;22.93,-29.19,;25.62,-28.92,;26.9,-28.07,;28.28,-28.74,;29.56,-27.88,;30.94,-28.56,;32.23,-27.69,;32.11,-26.16,;33.6,-28.38,;25.82,-30.45,;27.24,-31.05,;28.52,-30.19,;27.44,-32.58,;26.15,-33.45,;26.89,-34.98,;28.55,-34.74,;28.85,-33.08,;30.19,-32.31,;30.19,-30.77,;31.52,-33.08,;31.52,-34.62,;32.86,-35.39,;34.2,-34.61,;32.86,-36.92,;31.52,-37.7,;30.19,-36.92,;28.86,-37.7,;30.19,-35.39,;34.2,-37.7,;34.2,-39.24,;32.86,-40.01,;35.54,-40.01,;36.87,-39.23,;36.87,-37.69,;38.2,-36.92,;35.53,-36.92,;35.54,-41.54,;36.87,-42.31,;36.87,-43.85,;38.2,-41.54,;39.53,-42.32,;39.53,-43.84,;38.22,-44.61,;38.21,-46.16,;39.56,-46.92,;39.56,-48.46,;40.89,-46.14,;40.87,-44.61,;38.2,-39.99,;39.52,-39.23,;40.86,-40,;39.52,-37.69,;40.86,-36.91,;40.86,-35.37,;39.52,-34.61,;42.19,-34.61,;43.53,-35.37,;42.19,-33.07,;43.53,-32.29,;43.53,-30.76,;44.86,-33.06,;44.86,-34.6,;46.19,-35.37,;46.19,-32.28,;47.52,-33.05,;47.52,-34.6,;48.86,-32.28,;48.86,-30.74,;47.52,-29.97,;46.19,-30.74,;47.52,-28.44,;50.19,-33.05,;51.54,-32.29,;51.54,-30.74,;52.86,-33.05,;52.86,-34.59,;51.54,-35.37,;51.54,-36.91,;50.19,-34.59,;54.2,-32.28,;55.53,-33.05,;55.53,-34.59,;56.86,-32.28,;58.19,-33.04,;59.53,-32.27,;59.53,-30.73,;60.86,-33.04,;60.86,-34.58,;59.53,-35.35,;58.13,-34.73,;57.11,-35.88,;57.88,-37.21,;57.4,-38.68,;58.43,-39.82,;59.95,-39.49,;60.41,-38.03,;59.37,-36.89,;62.19,-32.28,;63.53,-33.05,;63.53,-34.58,;64.86,-32.28,;66.19,-33.04,;56.86,-30.74,;58.19,-29.97,;55.53,-29.97,;-8.59,-11.16,;-10.13,-11.15,;-7.81,-9.83,)|
Show InChI InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
19n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 272: 24612-6 (1997)


BindingDB Entry DOI: 10.7270/Q2BC3X2Q
More data for this
Ligand-Target Pair