Drug status | DrugBank ID | Name | Type | Drug structure |
Experimental | DB02091 | 4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine | Small molecule | |
Experimental | DB02407 | 6-O-Cyclohexylmethyl Guanine | Small molecule | |
Experimental | DB02833 | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine | Small molecule | |
Experimental | DB02915 | 4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(4-Trifluoromethyl-Phenyl)-Amine | Small molecule | |
Experimental | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | Small molecule | |
Experimental | DB06944 | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide | Small molecule | |
Experimental | DB06948 | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | Small molecule | |
Experimental | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Small molecule | |
Experimental | DB07137 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE | Small molecule | |
Experimental | DB07164 | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine | Small molecule | |
Experimental | DB07203 | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | Small molecule | |
Experimental | DB07471 | 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE | Small molecule | |
Experimental | DB07533 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE | Small molecule | |
Experimental | DB07534 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | Small molecule | |
Experimental | DB07538 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE | Small molecule | |
Experimental | DB07539 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID | Small molecule | |
Experimental | DB07562 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | Small molecule | |
Experimental | DB07688 | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | Small molecule | |
Experimental | DB07852 | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID | Small molecule | |
Experimental | DB08178 | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine | Small molecule | |
Experimental | DB08182 | 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine | Small molecule | |
Experimental | DB08218 | HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | Small molecule | |
Experimental | DB08219 | 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE | Small molecule | |
Experimental | DB08233 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | Small molecule | |
Experimental | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | Small molecule | |
Experimental | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | Small molecule | |
Experimental | DB08285 | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol | Small molecule | |
Experimental | DB08309 | 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL | Small molecule | |
Experimental | DB08355 | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid | Small molecule | |
Experimental | DB08463 | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol | Small molecule | |
Experimental | DB08527 | 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE | Small molecule | |
Experimental | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | Small molecule | |
Experimental | DB08694 | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol | Small molecule | |
Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
III | | Peptide ligand (PRO,VAL,LYS,ARG,ARG,LEU,ASP,LEU,GLU) | 1h24 | B | E220 | III | | Peptide ligand (ARG,ASN,LEU,PHE,GLY,PRO) | 1h27 | B | E220 | III | | Peptide ligand (ALA,LYS,ARG,ARG,LEU,PHE,GLY,GLU) | 1h28 | D | E220 | III | | Peptide ligand (ARG,ARG,LEU,ILE,PHE,NH2) | 1okv | B | E220 | III | | Peptide ligand (ARG,ARG,LEU,ILE,PHE,NH2) | 1okv | D | E220 | III | | Peptide ligand (ACE,ARG,ARG,LEU,ASN,PHE,NH2) | 1okw | B | E220 | III | | Peptide ligand (ACE,ARG,ARG,LEU,ASN,PHE,NH2) | 1okw | D | E220 | III | | Peptide ligand (ARG,ARG,LEU,ASN,PFF,NH2) | 1ol2 | B | E220 | III | | Peptide ligand (ARG,ARG,LEU,ASN,PFF,NH2) | 1ol2 | D | E220 | III | | Peptide ligand (ACE,ARG,LYS,LEU,PHE,GLY) | 1urc | B | E220 | III | | Peptide ligand (ALA,ALA,GLU,ARG,SER,LEU,ILE,PHE,NH2) | 2c5v | B | E220 | III | | Peptide ligand (ALA,ALA,GLU,ARG,SER,LEU,ILE,PHE,NH2) | 2c5v | D | E220 | III | | Peptide ligand (HIS,THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE,ASP,ASN) | 2cch | B | E220 | III | | Peptide ligand (HIS,THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE,ASP,ASN) | 2cch | D | E220 | III | | Peptide ligand (THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE) | 2cci | D | E220 | GVC | | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID | 2uue | B | E220 | GVC | | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID | 2uue | D | E220 | III | | Peptide ligand (ACE,ARG,ARG,LEU,PHE,NH2) | 2wfy | B | E220 | III | | Peptide ligand (ACE,ARG,ARG,LEU,PHE,NH2) | 2wfy | D | E220 | III | | Peptide ligand (ARG,ARG,LEU,PHE,NH2) | 2whb | B | E220 | III | | Peptide ligand (ARG,ARG,LEU,PHE,NH2) | 2whb | D | E220 | III | | Peptide ligand (ARG,LYS,LEU,PHE,ASN) | 2wma | B | E220 | III | | Peptide ligand (GLY,SER,ALA,LYS,ARG,ARG,LEU,PHE,GLY,GLU) | 1h28 | B | E220 Y286 | III | | Peptide ligand (HIS,THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE,ASP,ASN) | 2cci | B | T207 E220 |
LBS | AA sequence | # species | Species |
D216 | RAILVDWLVEV | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | D216 | RGILVDWLVEV | 2 | Arabidopsis thaliana, Arabidopsis thaliana | D216 | RGILIDWLVEV | 1 | Oryza sativa subsp. japonica | D283 | FVYITDDTYTK | 2 | Homo sapiens, Bos taurus | D283 | FCFITDNTYTR | 2 | Arabidopsis thaliana, Arabidopsis thaliana | D283 | FVYITDDTYNK | 1 | Gallus gallus | D283 | FVYITDDTYSK | 1 | Mus musculus | D283 | FCFITDNTYTK | 1 | Oryza sativa subsp. japonica | E220 | VDWLVEVGEEY | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | E220 | VDWLVEVSEEY | 2 | Arabidopsis thaliana, Arabidopsis thaliana | E220 | IDWLVEVSEEY | 1 | Oryza sativa subsp. japonica | E223 | LVEVGEEYKLQ | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | E223 | LVEVSEEYKLV | 1 | Oryza sativa subsp. japonica | E223 | LVEVSEEYTLA | 1 | Arabidopsis thaliana | E223 | LVEVSEEYTLV | 1 | Arabidopsis thaliana | E224 | VEVGEEYKLQN | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | E224 | VEVSEEYKLVP | 1 | Oryza sativa subsp. japonica | E224 | VEVSEEYTLAS | 1 | Arabidopsis thaliana | E224 | VEVSEEYTLVP | 1 | Arabidopsis thaliana | E269 | ASKFEEIYPPE | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | E269 | ASKYEEICAPR | 1 | Oryza sativa subsp. japonica | E269 | ASKYEEISAPR | 1 | Arabidopsis thaliana | E269 | ASKYEEIHAPR | 1 | Arabidopsis thaliana | E277 | PPEVAEFVYIT | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | E277 | APRIEEFCFIT | 2 | Arabidopsis thaliana, Arabidopsis thaliana | E277 | APRVEEFCFIT | 1 | Oryza sativa subsp. japonica | G251 | MSVLRGKLQLV | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | G251 | HYIERQKLQLL | 1 | Oryza sativa subsp. japonica | G251 | NYVQRQQLQLL | 1 | Arabidopsis thaliana | G251 | NYVERQRLQLL | 1 | Arabidopsis thaliana | I206 | K-QPDITNSMR | 2 | Homo sapiens, Bos taurus | I206 | K-QPDITNNMR | 1 | Gallus gallus | I206 | R-QPDITNSMR | 1 | Mus musculus | I206 | ALQRDITKGMR | 1 | Oryza sativa subsp. japonica | I206 | RIQKDVTQSMR | 1 | Arabidopsis thaliana | I206 | KTQRDVTETMR | 1 | Arabidopsis thaliana | I213 | NSMRAILVDWL | 3 | Homo sapiens, Mus musculus, Bos taurus | I213 | NNMRAILVDWL | 1 | Gallus gallus | I213 | KGMRGILIDWL | 1 | Oryza sativa subsp. japonica | I213 | QSMRGILVDWL | 1 | Arabidopsis thaliana | I213 | ETMRGILVDWL | 1 | Arabidopsis thaliana | I270 | SKFEEIYPPEV | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | I270 | SKYEEICAPRV | 1 | Oryza sativa subsp. japonica | I270 | SKYEEISAPRI | 1 | Arabidopsis thaliana | I270 | SKYEEIHAPRI | 1 | Arabidopsis thaliana | I281 | AEFVYITDDTY | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | I281 | EEFCFITDNTY | 3 | Oryza sativa subsp. japonica, Arabidopsis thaliana, Arabidopsis thaliana | K252 | SVLRGKLQLVG | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | K252 | YIERQKLQLLG | 1 | Oryza sativa subsp. japonica | K252 | YVQRQQLQLLG | 1 | Arabidopsis thaliana | K252 | YVERQRLQLLG | 1 | Arabidopsis thaliana | L214 | SMRAILVDWLV | 3 | Homo sapiens, Mus musculus, Bos taurus | L214 | NMRAILVDWLV | 1 | Gallus gallus | L214 | GMRGILIDWLV | 1 | Oryza sativa subsp. japonica | L214 | SMRGILVDWLV | 1 | Arabidopsis thaliana | L214 | TMRGILVDWLV | 1 | Arabidopsis thaliana | L253 | VLRGKLQLVGT | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | L253 | IERQKLQLLGI | 1 | Oryza sativa subsp. japonica | L253 | VQRQQLQLLGI | 1 | Arabidopsis thaliana | L253 | VERQRLQLLGI | 1 | Arabidopsis thaliana | L348 | DADPYLKYLPS | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | L348 | DY-SFLKFLPS | 1 | Oryza sativa subsp. japonica | L348 | DY-HFLKFLPS | 1 | Arabidopsis thaliana | L348 | DY-PFLKFLPS | 1 | Arabidopsis thaliana | M200 | PKVGYMKK-QP | 2 | Homo sapiens, Bos taurus | M200 | PKIGYMKK-QP | 1 | Gallus gallus | M200 | PKVGYMKR-QP | 1 | Mus musculus | M200 | PRSNYMEALQR | 1 | Oryza sativa subsp. japonica | M200 | PLPDFMERIQK | 1 | Arabidopsis thaliana | M200 | PFPDFMEKTQR | 1 | Arabidopsis thaliana | M210 | DITNSMRAILV | 3 | Homo sapiens, Mus musculus, Bos taurus | M210 | DITNNMRAILV | 1 | Gallus gallus | M210 | DITKGMRGILI | 1 | Oryza sativa subsp. japonica | M210 | DVTQSMRGILV | 1 | Arabidopsis thaliana | M210 | DVTETMRGILV | 1 | Arabidopsis thaliana | Q203 | YMKK-QPDITN | 3 | Homo sapiens, Gallus gallus, Bos taurus | Q203 | YMKR-QPDITN | 1 | Mus musculus | Q203 | YMEALQRDITK | 1 | Oryza sativa subsp. japonica | Q203 | FMERIQKDVTQ | 1 | Arabidopsis thaliana | Q203 | FMEKTQRDVTE | 1 | Arabidopsis thaliana | Q254 | LRGKLQLVGTA | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | Q254 | ERQKLQLLGIT | 1 | Oryza sativa subsp. japonica | Q254 | QRQQLQLLGIT | 1 | Arabidopsis thaliana | Q254 | ERQRLQLLGIT | 1 | Arabidopsis thaliana | R250 | SMSVLRGKLQL | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | R250 | QHYIERQKLQL | 1 | Oryza sativa subsp. japonica | R250 | GNYVQRQQLQL | 1 | Arabidopsis thaliana | R250 | GNYVERQRLQL | 1 | Arabidopsis thaliana | T207 | -QPDITNSMRA | 3 | Homo sapiens, Mus musculus, Bos taurus | T207 | -QPDITNNMRA | 1 | Gallus gallus | T207 | LQRDITKGMRG | 1 | Oryza sativa subsp. japonica | T207 | IQKDVTQSMRG | 1 | Arabidopsis thaliana | T207 | TQRDVTETMRG | 1 | Arabidopsis thaliana | T282 | EFCFITDNTYT | 3 | Oryza sativa subsp. japonica, Arabidopsis thaliana, Arabidopsis thaliana | T282 | EFVYITDDTYT | 2 | Homo sapiens, Bos taurus | T282 | EFVYITDDTYN | 1 | Gallus gallus | T282 | EFVYITDDTYS | 1 | Mus musculus | T285 | YITDDTYTKKQ | 2 | Homo sapiens, Bos taurus | T285 | FITDNTYTRDQ | 2 | Arabidopsis thaliana, Arabidopsis thaliana | T285 | YITDDTYNKKQ | 1 | Gallus gallus | T285 | YITDDTYSKKQ | 1 | Mus musculus | T285 | FITDNTYTKAE | 1 | Oryza sativa subsp. japonica | V221 | DWLVEVGEEYK | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | V221 | DWLVEVSEEYT | 2 | Arabidopsis thaliana, Arabidopsis thaliana | V221 | DWLVEVSEEYK | 1 | Oryza sativa subsp. japonica | W217 | AILVDWLVEVG | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | W217 | GILVDWLVEVS | 2 | Arabidopsis thaliana, Arabidopsis thaliana | W217 | GILIDWLVEVS | 1 | Oryza sativa subsp. japonica | Y225 | EVGEEYKLQNE | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | Y225 | EVSEEYKLVPD | 1 | Oryza sativa subsp. japonica | Y225 | EVSEEYTLASD | 1 | Arabidopsis thaliana | Y225 | EVSEEYTLVPD | 1 | Arabidopsis thaliana | Y280 | VAEFVYITDDT | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | Y280 | IEEFCFITDNT | 2 | Arabidopsis thaliana, Arabidopsis thaliana | Y280 | VEEFCFITDNT | 1 | Oryza sativa subsp. japonica | Y286 | ITDDTYTKKQV | 2 | Homo sapiens, Bos taurus | Y286 | ITDNTYTRDQV | 2 | Arabidopsis thaliana, Arabidopsis thaliana | Y286 | ITDDTYNKKQV | 1 | Gallus gallus | Y286 | ITDDTYSKKQV | 1 | Mus musculus | Y286 | ITDNTYTKAEV | 1 | Oryza sativa subsp. japonica | Y347 | IDADPYLKYLP | 4 | Homo sapiens, Gallus gallus, Mus musculus, Bos taurus | Y347 | IDY-SFLKFLP | 1 | Oryza sativa subsp. japonica | Y347 | IDY-HFLKFLP | 1 | Arabidopsis thaliana | Y347 | MDY-PFLKFLP | 1 | Arabidopsis thaliana | Y350 | DPYLKYLPSVI | 3 | Homo sapiens, Gallus gallus, Bos taurus | Y350 | DPYLKYLPSLI | 1 | Mus musculus | Y350 | -SFLKFLPSVV | 1 | Oryza sativa subsp. japonica | Y350 | -HFLKFLPSVV | 1 | Arabidopsis thaliana | Y350 | -PFLKFLPSII | 1 | Arabidopsis thaliana |