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GlycoNAVI Proteins
GlycoNAVI-Proteins is dataset of glycan and protein information. This is the content of GlycoNAVI.
| Source | Last Updated |
|---|---|
| GlycoNAVI Proteins | April 09, 2025 |
| PDB ID | UniProt ID | Title | Descriptor |
|---|---|---|---|
| 7G45 | Q64610 | Crystal Structure of rat Autotaxin in complex with 3-(4-chloro-5-methyl-2-propan-2-ylphenyl)-4-methyl-1H-1,2,4-triazol-5-one, i.e. SMILES c1c(c(cc(c1C(C)C)C1=NNC(=O)N1C)C)Cl with IC50=0.843581 microM | |
| 7G46 | Q64610 | Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES N1(C[C@@H]2[C@@H](C1)CN(C2)C(=O)OCc1ccc(cc1)OC(F)(F)F)C(=O)[C@@H]1CCC2=C(C1)N=NN2 with IC50=0.00614797 microM | |
| 7G47 | Q64610 | Crystal Structure of rat Autotaxin in complex with 3-[4-(cyclopropylmethoxy)naphthalen-2-yl]-4-methyl-1H-1,2,4-triazol-5-one | |
| 7G48 | Q64610 | Crystal Structure of rat Autotaxin in complex with [(3aS,6aS)-5-(4-methoxynaphthalene-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-(1H-benzotriazol-5-yl)methanone, i.e. SMILES N1(C[C@@H]2[C@@H](C1)CN(C2)C(=O)c1cc(c2c(c1)cccc2)OC)C(=O)c1ccc2c(c1)N=NN2 with IC50=0.11329 microM | |
| 7G49 | Q64610 | Crystal Structure of rat Autotaxin in complex with 8-(2-fluorophenyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one | |
| 7G4A | Q64610 | Crystal Structure of rat Autotaxin in complex with (3-chloro-5-methylsulfonylphenyl)methyl 2-(1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate, i.e. SMILES c1c(cc(cc1S(=O)(=O)C)COC(=O)N1CCC2(CC1)CN(C2)C(=O)c1ccc2c(c1)N=NN2)Cl with IC50=0.332347 microM | |
| 7G4B | Q64610 | Crystal Structure of rat Autotaxin in complex with [2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-(4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate, i.e. SMILES C1N(CC21CCN(CC2)C(=O)OCc1c(cc(cc1)C(F)(F)F)F)C(=O)[C@H]1CCC2=C(C1)N=NN2 with IC50=0.103944 microM | |
| 7G4C | Q64610 | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(1R,2R,6S,7S)-9-(1-ethyl-4-propan-2-yloxyindole-6-carbonyl)-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)c1cc2c(c(c1)OC(C)C)C=CN2CC with IC50=0.0412147 microM | |
| 7G4D | Q64610 | Crystal Structure of rat Autotaxin in complex with rac-(E)-1-[rac-(1R,2S,6R,7S)-9-(1H-benzotriazole-5-carbonyl)-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)/C=C/c1ccc(cc1)OC(F)(F)F with IC50=0.00827722 microM | |
| 7G4E | Q64610 | Crystal Structure of rat Autotaxin in complex with (5E)-5-[(4-tert-butylphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one, i.e. SMILES N1=C(S/C(=C/c2ccc(C(C)(C)C)cc2)/C1=O)N1CCCC1 with IC50=0.210793 microM | |
| 7G4F | Q64610 | Crystal Structure of rat Autotaxin in complex with (E)-1-[(3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES C1N(C[C@H]2[C@H]1CN(C2)C(=O)c1ccc2c(c1)N=NN2)C(=O)/C=C/c1ccc(cc1)OC(F)(F)F with IC50=0.00118848 microM | |
| 7G4G | Q64610 | Crystal Structure of rat Autotaxin in complex with 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid, i.e. SMILES c12c(c(ccc1C(=O)C=C(O2)C(=O)O)OC[C@@H](COc1c(c(c(cc1)C(=O)C)O)CCC)O)CCC with IC50=0.249971 microM | |
| 7G4H | Q64610 | Crystal Structure of rat Autotaxin in complex with [2-methyl-4-(trifluoromethoxy)phenyl]methyl 2-(1,4,6,7-tetrahydrotriazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate, i.e. SMILES N1(CCN2C(=CC(=N2)C(=O)N2CCC3=C(C2)N=NN3)C1)C(=O)OCc1c(cc(cc1)OC(F)(F)F)C with IC50=0.268343 microM | |
| 7G4I | Q64610 | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(3aR,6aS)-5-[2-(3,5-dichlorophenyl)ethylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone, i.e. SMILES c1(ccc2c(c1)N=NN2)C(=O)N1C[C@@H]2[C@H](C1)C[C@H](C2)S(=O)(=O)CCc1cc(cc(c1)Cl)Cl with IC50=0.129444 microM | |
| 7G4J | Q64610 | Crystal Structure of rat Autotaxin in complex with 4-[rac-(E)-3-oxo-3-[rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]prop-1-enyl]benzonitrile, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)/C=C/c1ccc(cc1)C#N)CN(C2)C(=O)c1ccc2c(c1)N=NN2 with IC50=0.193037 microM | |
| 7G4K | Q64610 | Crystal Structure of rat Autotaxin in complex with 5-(4-chlorophenyl)-2-(5,6-dimethoxybenzimidazol-1-yl)-N-methyl-1,3-thiazole-4-carboxamide, i.e. SMILES C1(=NC(=C(S1)c1ccc(cc1)Cl)C(=O)NC)N1c2c(N=C1)cc(c(c2)OC)OC with IC50=0.0108616 microM | |
| 7G4L | Q64610 | Crystal Structure of rat Autotaxin in complex with N-[2-amino-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]phenyl]acetamide, i.e. SMILES c1c(ccc(c1N)NC(=O)C)C(=O)CCc1ccc(cc1)C(F)(F)F with IC50=0.529423 microM | |
| 7G4M | Q64610 | Crystal Structure of rat Autotaxin in complex with N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide | |
| 7G4N | Q64610 | Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(6-sulfamoylpyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES FC(Oc1ccc(cc1)COC(=O)N1C[C@H]2[C@H](C1)CN(C2)C(=O)c1cnc(cc1)S(=O)(=O)N)(F)F with IC50=0.0134798 microM | |
| 7G4O | Q64610 | Crystal Structure of rat Autotaxin in complex with [3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl] 2,2-dimethylpropanoate, i.e. SMILES c1c(cc(c(c1O)C(CCOC(=O)C(C)(C)C)(C)C)C)C with IC50=1.13176 microM | |
| 7G4P | Q64610 | Crystal Structure of rat Autotaxin in complex with rac-(E)-1-[rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES N1(CC[C@@H]2[C@H](CC1)CN(C2)C(=O)c1ccc2c(c1)N=NN2)C(=O)/C=C/c1ccc(cc1)OC(F)(F)F with IC50=0.00155284 microM | |
| 7G4Q | Q64610 | Crystal Structure of rat Autotaxin in complex with (3-chloro-5-cyanophenyl)methyl rac-(3aR,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES C1N(C[C@@H]2[C@H]1CN(C2)C(=O)c1ccc2c(c1)N=NN2)C(=O)OCc1cc(cc(c1)Cl)C#N with IC50=0.729656 microM | |
| 7G4R | Q64610 | Crystal Structure of rat Autotaxin in complex with (3-chloro-5-methylsulfonylphenyl)methyl rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6-carboxylate, i.e. SMILES N1(CC[C@@H]2[C@H](CC1)CN(C2)C(=O)c1ccc2c(c1)N=NN2)C(=O)OCc1cc(cc(c1)Cl)S(=O)(=O)C with IC50=0.00849941 microM | |
| 7G4S | Q64610 | Crystal Structure of rat Autotaxin in complex with 3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, i.e. SMILES C12=C(C=NN1C(=CC(=N2)C)NC[C@@H]1OCCC1)c1ccc(cc1)Cl with IC50=0.95455 microM | |
| 7G4T | Q64610 | Crystal Structure of rat Autotaxin in complex with (6-bromonaphthalen-2-yl)-[rac-(1R,2R,6S,7S)-9-(1H-benzotriazole-5-carbonyl)-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)c1ccc2c(c1)ccc(c2)Br with IC50=0.127386 microM | |
| 7G4U | Q64610 | Crystal Structure of rat Autotaxin in complex with (E)-1-[(3aS,8aR)-2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)/C=C/c1ccc(cc1)OC(F)(F)F)CN(C2)C(=O)[C@@H]1CCC2=C(C1)N=NN2 with IC50=0.0213266 microM | |
| 7G4V | Q64610 | Crystal Structure of rat Autotaxin in complex with N-(4-imidazol-1-ylbutyl)-N-[[6-(4-propan-2-ylanilino)pyridin-3-yl]methyl]acetamide, i.e. SMILES c1(CN(CCCCN2C=CN=C2)C(=O)C)ccc(nc1)Nc1ccc(cc1)C(C)C with IC50=0.0468706 microM | |
| 7G4W | Q64610 | Crystal Structure of rat Autotaxin in complex with (6-chloro-9H-carbazol-2-yl)-[(1R,2S,6R,7S)-4,9-diazatricyclo[5.3.0.0-2,6]decan-4-yl]methanone, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)c1ccc2-c3c(Nc2c1)ccc(c3)Cl with IC50=0.26635 microM | |
| 7G4X | Q64610 | Crystal Structure of rat Autotaxin in complex with N'-(4-butylphenyl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]oxamide, i.e. SMILES S(=O)(=O)(N1CCN(CC1)CCNC(=O)C(=O)Nc1ccc(cc1)CCCC)c1ccc(cc1)C with IC50=0.0469096 microM | |
| 7G4Y | Q64610 | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(1R,2S,6R,7S)-9-[4-propan-2-yloxy-7-(trifluoromethyl)quinoline-2-carbonyl]-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)c1nc2c(c(c1)OC(C)C)ccc(c2)C(F)(F)F with IC50=0.0197138 microM | |
| 7G4Z | Q64610 | Crystal Structure of rat apo Autotaxin | |
| 7G50 | Q64610 | Crystal Structure of rat Autotaxin in complex with 3-[[2-methylsulfanyl-5-(2,4,6-trichlorobenzoyl)phenyl]methyl]-1H-pyridazin-6-one, i.e. SMILES c1(c(ccc(c1)C(=O)c1c(cc(cc1Cl)Cl)Cl)SC)CC1=NNC(=O)C=C1 with IC50=1.03291 microM | |
| 7G51 | Q64610 | Crystal Structure of rat Autotaxin in complex with (5Z)-5-[(4-phenoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one, i.e. SMILES C\1(=C\c2ccc(Oc3ccccc3)cc2)/C(=O)N=C(S1)N1CCCC1 with IC50=0.135695 microM | |
| 7G52 | Q64610 | Crystal Structure of rat Autotaxin in complex with 3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-1H-pyridazin-6-one, i.e. SMILES O(CC1=NNC(=O)C=C1)c1c(cc(c(c1)C)Cl)C(C)C with IC50=0.043937 microM | |
| 7G53 | Q64610 | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(1R,2S,6R,7S)-9-[4-(2-methoxyethoxy)quinoline-2-carbonyl]-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)c1nc2c(c(c1)OCCOC)cccc2 with IC50=0.223388 microM | |
| 7G54 | Q64610 | Crystal Structure of rat Autotaxin in complex with tert-butyl (4aR)-9-(4-chloro-2-fluorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxylate, i.e. SMILES c1cc(cc(c1c1cc2c(cc1)NC(=O)[C@@H]1N(C2=O)CCN(C1)C(=O)OC(C)(C)C)F)Cl with IC50=0.506839 microM | |
| 7G55 | Q64610 | Crystal Structure of rat Autotaxin in complex with [3-chloro-5-(trifluoromethoxy)phenyl]methyl rac-(3aR,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, i.e. SMILES C1N(C[C@@H]2[C@H]1CN(C2)C(=O)c1ccc2c(c1)N=NN2)C(=O)OCc1cc(cc(c1)Cl)OC(F)(F)F with IC50=0.00942633 microM | |
| 7G56 | Q64610 | Crystal Structure of rat Autotaxin in complex with a dimer of [(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-cyclohexylcarbamate, i.e. SMILES O=C(NC1CCCCC1)OC[C@H]2C[C@@H]3CCN2C[C@@H]3C#CC#C[C@H]4CN5CC[C@H]4C[C@@H]5COC(=O)NC6CCCCC6 with IC50=4.47875 microM | |
| 7G57 | Q64610 | Crystal Structure of rat Autotaxin in complex with (3,5-dichlorophenyl)methyl rac-(3aR,6aS)-5-(1H-triazol-5-ylmethylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate, i.e. SMILES [C@H]12CN(C[C@H]1C[C@@H](C2)C(=O)NCC1=CN=NN1)C(=O)OCc1cc(cc(c1)Cl)Cl with IC50=0.326297 microM | |
| 7G58 | Q64610 | Crystal Structure of rat Autotaxin in complex with 2-[(3,3-dimethyl-6-propan-2-yl-1,2-dihydroinden-5-yl)oxy]-1-[rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]ethanone, i.e. SMILES N1(CC[C@@H]2[C@H](CC1)CN(C2)C(=O)c1cc2c(cc1)NN=N2)C(=O)COc1c(cc2c(c1)C(CC2)(C)C)C(C)C with IC50=0.00121852 microM | |
| 7G59 | Q64610 | Crystal Structure of rat Autotaxin in complex with [2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-(4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate, i.e. SMILES C1N(CC21CCN(CC2)C(=O)OCc1c(cc(cc1)OCC(F)(F)F)F)C(=O)[C@H]1CCC2=C(C1)N=NN2 with IC50=0.211229 microM | |
| 7G5A | Q64610 | Crystal Structure of rat Autotaxin in complex with 2-tert-butyl-6-(4-chlorophenyl)-4-methylsulfonylpyridine, i.e. SMILES c1(c2ccc(cc2)Cl)cc(cc(n1)C(C)(C)C)S(=O)(=O)C with IC50=2.51866 microM | |
| 7G5B | Q64610 | Crystal Structure of rat Autotaxin in complex with N-[5-[2-(4-fluorophenyl)ethynyl]pyridin-2-yl]acetamide, i.e. SMILES C(#Cc1ccc(F)cc1)c1cnc(NC(=O)C)cc1 with IC50=1.56678 microM | |
| 7G5C | Q64610 | Crystal Structure of rat Autotaxin in complex with 1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone, i.e. SMILES C1N(C[C@H]2[C@H]1CN(C2)C(=O)c1ccc2c(c1)N=NN2)C(=O)COc1ccc(cc1)OC(F)(F)F with IC50=0.137048 microM | |
| 7G5D | Q64610 | Crystal Structure of rat Autotaxin in complex with [(3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[4-(4-chlorophenyl)phenyl]methanone, i.e. SMILES N1(C[C@@H]2[C@@H](C1)CN(C2)C(=O)c1ccc(cc1)c1ccc(cc1)Cl)C(=O)c1ccc2c(c1)N=NN2 with IC50=0.00428865 microM | |
| 7G5E | Q64610 | Crystal Structure of rat Autotaxin in complex with rac-(4S,6R,7S,8S,11S,12S,15R,16R)-4,6-dihydroxy-12,16-dimethyl-15-[rac-(2R)-6-methyl-5-methylidene-4-oxoheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid, i.e. SMILES [C@@]123[C@@]4(C1)[C@H]([C@]1([C@](CC4)([C@H](CC1)[C@@H](CC(=O)C(=C)C(C)C)C)C)C)CC[C@H]2[C@@H]([C@@H](C[C@@H]3O)O)C(=O)O with IC50=0.0603796 microM | |
| 7G5F | Q64610 | Crystal Structure of rat Autotaxin in complex with 1H-benzotriazol-5-yl-[rac-(1R,2R,6S,7S)-9-[4-(cyclopropylmethoxy)naphthalene-2-carbonyl]-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]methanone, i.e. SMILES N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)c1ccc2c(c1)N=NN2)C(=O)c1cc(c2c(c1)cccc2)OCC1CC1 with IC50=0.00985223 microM | |
| 7G5G | Q64610 | Crystal Structure of rat Autotaxin in complex with 1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-4-carboxamide, i.e. SMILES N1(C(=O)c2c(C1=O)cccc2N1CCC(C(=O)NCC2=NON=C2C)CC1)CC1CCCCC1 with IC50=0.0435744 microM | |
| 7G5H | Q64610 | Crystal Structure of rat Autotaxin in complex with 1-[(3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one, i.e. SMILES N1(C[C@H]2[C@H](C1)CN(C2)C(=O)c1ccc2c(c1)N=NN2)C(=O)CCc1ccc(cc1)OC(F)(F)F with IC50=0.0098589 microM | |
| 7G5I | Q64610 | Crystal Structure of rat Autotaxin in complex with rac-(E)-1-[rac-(3aR,8aS)-2-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)/C=C/c1ccc(cc1)OC(F)(F)F)CN(C2)C(=O)N1CCC2=C(C1)C=NN2 with IC50=1.45741 microM |
