Reaction Details Report a problem with these data
Target
Galanin receptor type 1
Ligand
BDBM50273362
Substrate
n/a
Meas. Tech.
ChEMBL_561974 (CHEMBL1010037)
Ki
3.3±n/a nM
Citation
 Bulaj, G; Green, BR; Lee, HK; Robertson, CR; White, K; Zhang, L; Sochanska, M; Flynn, SP; Scholl, EA; Pruess, TH; Smith, MD; White, HS Design, synthesis, and characterization of high-affinity, systemically-active galanin analogues with potent anticonvulsant activities. J Med Chem 51:8038-47 (2008) [PubMed]  Article 
Target
Name:
Galanin receptor type 1
Synonyms:
GAL1-R | GALNR | GALNR1 | GALR1 | GALR1_HUMAN | Galanin R1 | Galanin receptor 1 | Galanin receptor type 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
38976.60
Organism:
Homo sapiens (Human)
Description:
Galanin R1 GALR1 HUMAN::P47211
Residue:
349
Sequence:
MELAVGNLSEGNASWPEPPAPEPGPLFGIGVENFVTLVVFGLIFALGVLGNSLVITVLARSKPGKPRSTTNLFILNLSIADLAYLLFCIPFQATVYALPTWVLGAFICKFIHYFFTVSMLVSIFTLAAMSVDRYVAIVHSRRSSSLRVSRNALLGVGCIWALSIAMASPVAYHQGLFHPRASNQTFCWEQWPDPRHKKAYVVCTFVFGYLLPLLLICFCYAKVLNHLHKKLKNMSKKSEASKKKTAQTVLVVVVVFGISWLPHHIIHLWAEFGVFPLTPASFLFRITAHCLAYSNSSVNPIIYAFLSENFRKAYKQVFKCHIRKDSHLSDTKESKSRIDTPPSTNCTHV
  
Inhibitor
Name:
BDBM50273362
Synonyms:
CHEMBL505336
Type:
Small organic molecule
Emp. Form.:
C104H174N30O22
Mol. Mass.:
2196.6822
SMILES:
CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=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)CNC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:48.47,26.33,145.148,67.72,110.116,122.136,96.100,wD:91.93,37.44,22.22,118.120,75.85,139.144,59.64,102.108,(48.91,-37.06,;47.43,-36.66,;47.03,-35.18,;45.54,-34.78,;45.14,-33.29,;43.65,-32.89,;43.25,-31.4,;41.77,-31.01,;41.37,-29.52,;39.88,-29.12,;39.48,-27.63,;38,-27.23,;37.6,-25.75,;36.11,-25.35,;35.71,-23.86,;34.22,-23.46,;33.13,-24.55,;33.82,-21.97,;35.04,-21.03,;34.83,-19.51,;36.05,-18.57,;35.84,-17.04,;37.06,-16.1,;36.76,-14.58,;35.3,-14.1,;34.14,-15.11,;35,-12.58,;36.16,-11.57,;37.62,-12.06,;38.78,-11.05,;38.48,-9.54,;39.7,-8.59,;41.12,-9.16,;39.48,-7.06,;33.55,-12.09,;33.25,-10.59,;34.4,-9.56,;31.79,-10.08,;30.63,-11.1,;30.93,-12.61,;29.77,-13.63,;30.07,-15.14,;28.92,-16.17,;27.46,-15.66,;29.22,-17.67,;31.49,-8.57,;30.03,-8.08,;28.87,-9.09,;29.71,-6.54,;30.8,-5.45,;30.02,-4.09,;28.52,-4.38,;28.33,-5.92,;27.1,-6.6,;25.77,-5.84,;27.11,-8.14,;25.76,-8.9,;25.78,-10.44,;27.12,-11.21,;24.45,-11.21,;24.45,-12.75,;25.78,-13.52,;25.78,-15.07,;27.12,-12.75,;23.11,-10.43,;21.78,-11.22,;21.79,-12.76,;20.45,-10.45,;20.45,-8.92,;21.79,-8.15,;21.78,-6.6,;23.11,-8.92,;19.1,-11.21,;17.76,-10.44,;17.76,-8.9,;16.43,-11.21,;16.43,-12.76,;17.77,-13.52,;19.1,-12.75,;20.43,-13.52,;20.44,-15.06,;21.77,-15.82,;19.1,-15.83,;17.77,-15.06,;15.1,-10.44,;13.77,-11.22,;13.77,-12.76,;12.44,-10.45,;11.09,-11.2,;9.75,-10.44,;9.75,-8.9,;8.42,-11.21,;8.41,-12.75,;7.08,-10.43,;5.75,-11.21,;5.76,-12.75,;4.42,-10.45,;4.42,-8.9,;5.75,-8.12,;3.09,-11.22,;1.76,-10.45,;1.76,-8.91,;.42,-11.22,;.43,-12.76,;1.76,-13.52,;3.09,-12.75,;1.76,-15.06,;-.92,-10.45,;-2.24,-11.22,;-2.24,-12.75,;-3.58,-10.45,;-3.58,-8.91,;-2.24,-8.14,;-2.24,-6.6,;-.91,-8.91,;-4.92,-11.21,;-6.26,-10.46,;-6.25,-8.91,;-7.59,-11.22,;-8.93,-10.45,;-10.25,-11.22,;-10.25,-12.76,;-11.61,-10.45,;-11.61,-8.92,;-10.26,-8.15,;-8.86,-8.77,;-7.83,-7.62,;-8.6,-6.29,;-8.13,-4.82,;-9.15,-3.68,;-10.66,-4,;-11.15,-5.46,;-10.12,-6.6,;-12.94,-11.22,;-14.29,-10.45,;-14.28,-8.91,;-15.62,-11.22,;-16.94,-10.44,;-18.28,-11.21,;-7.59,-12.76,;-8.92,-13.53,;-6.25,-13.53,;38.48,-16.68,;39.7,-15.74,;38.69,-18.2,;40.12,-18.79,;41.34,-17.85,;42.77,-18.43,;43.98,-17.49,;45.41,-18.06,;46.64,-17.13,;46.41,-15.57,;48.06,-17.69,;40.33,-20.32,;41.76,-20.89,;39.1,-21.26,)|
Structure:
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