Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
UAP | | 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID | 1fq9 | D | D218 | SU1 | | SU5402 | 1fgi | A | I545 L630 | SU1 | | SU5402 | 1fgi | B | I545 L630 | C4F | | 3-(3-METHOXYBENZYL)-1H-PYRROLO[2,3-B]PYRIDINE | 3c4f | A | I545 L630 | C4F | | 3-(3-METHOXYBENZYL)-1H-PYRROLO[2,3-B]PYRIDINE | 3c4f | B | I545 L630 | GQL | | (E)-[4-(3,5-DIFLUOROPHENYL)-3H-PYRROLO[2,3-B]PYRIDIN-3-YLIDENE](3-METHOXYPHENYL)METHANOL | 3gql | A | I545 L630 | GQL | | (E)-[4-(3,5-DIFLUOROPHENYL)-3H-PYRROLO[2,3-B]PYRIDIN-3-YLIDENE](3-METHOXYPHENYL)METHANOL | 3gql | B | I545 L630 | GQL | | (E)-[4-(3,5-DIFLUOROPHENYL)-3H-PYRROLO[2,3-B]PYRIDIN-3-YLIDENE](3-METHOXYPHENYL)METHANOL | 3gql | C | I545 L630 | VM1 | | 5-THIOPHEN-2-YLPYRIDINE-3-CARBOXYLIC ACID | 3js2 | A | I545 L630 | 3RH | | (6S)-6-PHENYL-5,6-DIHYDROBENZO[H]QUINAZOLIN-2-AMINE | 3rhx | B | I545 L630 | 3RH | | (6S)-6-PHENYL-5,6-DIHYDROBENZO[H]QUINAZOLIN-2-AMINE | 3rhx | A | I545 L630 | 07J | BGJ398 | 3-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)-1-(6-{[4-(4- ETHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)-1- METHYLUREA | 3tt0 | A | I545 L630 | 07J | BGJ398 | 3-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)-1-(6-{[4-(4- ETHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)-1- METHYLUREA | 3tt0 | B | I545 L630 | 2K5 | | N~4~-{5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE | 4nk9 | A | I545 L630 | 2K5 | | N~4~-{5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE | 4nk9 | B | I545 L630 | 2K7 | | N~4~-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE | 4nka | A | I545 L630 | 2K7 | | N~4~-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE | 4nka | B | I545 L630 | LWJ | | [5-AMINO-1-(2-METHYL-1H-BENZIMIDAZOL-6-YL)-1H-PYRAZOL- 4-YL](1H-INDOL-2-YL)METHANONE | 3wj6 | B | I545 L630 | SU2 | | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE | 1agw | A | I545 S565 L630 | SU2 | | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE | 1agw | B | I545 S565 L630 | PD1 | | PD173074 | 2fgi | A | I545 S565 L630 | PD1 | | PD173074 | 2fgi | B | I545 S565 L630 | 0S9 | | 5-BROMO-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~- [3-(2-PHENYLETHYL)-1H-PYRAZOL-5-YL]PYRIMIDINE-2,4- DIAMINE | 4f65 | B | I545 S565 L630 | LWJ | | [5-AMINO-1-(2-METHYL-1H-BENZIMIDAZOL-6-YL)-1H-PYRAZOL- 4-YL](1H-INDOL-2-YL)METHANONE | 3wj6 | A | I545 S565 L630 | 66T | | N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE | 4wun | A | I545 S565 L630 | 66T | | N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE | 4wun | B | I545 S565 L630 | DOV | | 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE | 4uwz | A | I545 S565 L630 | DOV | | 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE | 4uwz | B | I545 S565 L630 | DOV | | 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE | 4ux0 | A | I545 S565 L630 | DOV | | 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE | 4ux0 | B | I545 S565 L630 | 38O | DOVITINIB | 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE | 5am6 | A | I545 S565 L630 | 38O | DOVITINIB | 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE | 5am6 | B | I545 S565 L630 | 38O | DOVITINIB | 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE | 5am7 | A | I545 S565 L630 | 38O | DOVITINIB | 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE | 5am7 | B | I545 S565 L630 | 66T | | N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE | 4rwj | A | I545 S565 L630 | 66T | | N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE | 4rwj | B | I545 S565 L630 | JVT | | N-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H- INDAZOLE-3-CARBOXAMIDE | 4uwb | A | I545 S565 L630 | 4Y0 | | 3,4-DIMETHOXY-N-(5-PHENYL-1H-PYRAZOL-3-YL) BENZAMIDE | 4uwc | A | I545 S565 L630 | 4Y0 | | 3,4-DIMETHOXY-N-(5-PHENYL-1H-PYRAZOL-3-YL) BENZAMIDE | 4uwc | B | I545 S565 L630 | 66T | | N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE | 4rwk | A | I545 S565 N628 L630 | UAP | | 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID | 1fq9 | D | K172 | SGN | | N,O6-DISULFO-GLUCOSAMINE | 1fq9 | D | K172 | VM1 | | 5-THIOPHEN-2-YLPYRIDINE-3-CARBOXYLIC ACID | 3js2 | B | L630 | 2M2 | | N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~-[5-(2- PHENYLETHYL)-1H-PYRAZOL-3-YL]PYRIMIDINE-2,4-DIAMINE | 4nks | A | L630 | 2M2 | | N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~-[5-(2- PHENYLETHYL)-1H-PYRAZOL-3-YL]PYRIMIDINE-2,4-DIAMINE | 4nks | B | L630 | MG | | MAGNESIUM(2+) | 3gqi | A | N628 | ACP | | ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE | 3gqi | A | N628 L630 | IDS | | 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID | 1fq9 | C | R209 | 0S7 | | 5-BROMO-N~4~-(3-METHYL-1H-PYRAZOL-5-YL)-N~2~-[2- (PYRIDIN-3-YL)ETHYL]PYRIMIDINE-2,4-DIAMINE | 4f63 | A | S565 L630 | 0S8 | | 5-BROMO-N~4~-[3-(3-METHOXYPROPYL)-1H-PYRAZOL-5-YL]- N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE-2,4- DIAMINE | 4f64 | A | S565 L630 | 0S8 | | 5-BROMO-N~4~-[3-(3-METHOXYPROPYL)-1H-PYRAZOL-5-YL]- N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE-2,4- DIAMINE | 4f64 | B | S565 L630 | 0S9 | | 5-BROMO-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~- [3-(2-PHENYLETHYL)-1H-PYRAZOL-5-YL]PYRIMIDINE-2,4- DIAMINE | 4f65 | A | S565 L630 | 66T | | N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE | 4rwk | B | S565 L630 | 3ZC | | 6-({7-[(1-AMINOCYCLOPROPYL)METHOXY]-6-METHOXYQUINOLIN- 4-YL}OXY)-N-METHYLNAPHTHALENE-1-CARBOXAMIDE | 4rwl | B | S565 L630 | 4UT | | 4-(4-ETHYLPIPERAZIN-1-YL)-N-[6-(3-METHOXYPHENYL)-2H- INDAZOL-3-YL]BENZAMIDE | 4zsa | A | S565 L630 | 4UT | | 4-(4-ETHYLPIPERAZIN-1-YL)-N-[6-(3-METHOXYPHENYL)-2H- INDAZOL-3-YL]BENZAMIDE | 4zsa | B | S565 L630 | 0S7 | | 5-BROMO-N~4~-(3-METHYL-1H-PYRAZOL-5-YL)-N~2~-[2- (PYRIDIN-3-YL)ETHYL]PYRIMIDINE-2,4-DIAMINE | 4f63 | B | S565 N628 L630 |
LBS | AA sequence | # species | Species |
A512 | RVTKVAVKMLK | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | A564 | VIVEYASKGNL | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | A640 | NVMKIADFGLA | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | D218 | WSIIMDSVVPS | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | D641 | VMKIADFGLAR | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | E531 | SDLISEMEMMK | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | E562 | LYVIVEYASKG | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | E571 | KGNLREYLQAR | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | F489 | LGEGCFGQVVL | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | F642 | MKIADFGLARD | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | G490 | GEGCFGQVVLA | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | G567 | EYASKGNLREY | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | H166 | MEKKLHAVPAA | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | I216 | ATWSIIMDSVV | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | I545 | KHKNIINLLGA | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | K160 | WTSPEKMEKKL | 3 | Homo sapiens, Rattus norvegicus, Mus musculus | K160 | WTYPEKMEKKL | 1 | Gallus gallus | K163 | PEKMEKKLHAV | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | K172 | AVPAAKTVKFK | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | K175 | AAKTVKFKCPS | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | K177 | KTVKFKCPSSG | 3 | Homo sapiens, Rattus norvegicus, Mus musculus | K177 | KTVKFKCPSGG | 1 | Gallus gallus | K207 | RIGGYKVRYAT | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | K514 | TKVAVKMLKSD | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | K566 | VEYASKGNLRE | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | L630 | AARNVLVTEDN | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | M535 | SEMEMMKMIGK | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | N568 | YASKGNLREYL | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | N628 | DLAARNVLVTE | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | R209 | GGYKVRYATWS | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | R627 | RDLAARNVLVT | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | S565 | IVEYASKGNLR | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | T173 | VPAAKTVKFKC | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | V492 | GCFGQVVLAEA | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | V559 | DGPLYVIVEYA | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | V561 | PLYVIVEYASK | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus | Y563 | YVIVEYASKGN | 4 | Homo sapiens, Gallus gallus, Rattus norvegicus, Mus musculus |