Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
0SW | | N-(2-PHENYLETHYL)QUINAZOLIN-4-AMINE | 4f7s | A | D103 A155 | BAX | | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE | 3rgf | A | E66 L142 H149 A172 | 0ST | | 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- [2-(MORPHOLIN-4-YL)ETHYL]UREA | 4f70 | A | S62 R65 E66 H149 A172 | 4TV | | 8-{3-CHLORO-5-[4-(1-METHYL-1H-PYRAZOL-4-YL) PHENYL]PYRIDIN-4-YL}-2,8-DIAZASPIRO[4.5]DECAN-1-ONE | 5bnj | A | Y32 A172 | C1I | | CORTISTATIN A | 4crl | A | Y32 D103 A155 | 0SQ | | 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA | 4f6s | A | Y32 S62 E66 H149 A172 | 0SS | | N-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-4- [2-({[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5- YL]CARBAMOYL}AMINO)ETHYL]PIPERAZINE-1-CARBOXAMIDE | 4f6w | A | Y32 S62 E66 H149 A172 | 0SO | | TERT-BUTYL [3-({[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H- PYRAZOL-5-YL]CARBAMOYL}AMINO)PROPYL]CARBAMATE | 4f7l | A | Y32 S62 E66 H149 A172 | 0SR | | 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- [3-(MORPHOLIN-4-YL)PROPYL]UREA | 4f6u | A | Y32 S62 R65 E66 H149 A172 | 0SU | | 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- (2-HYDROXYETHYL)UREA | 4f7j | A | Y32 S62 R65 E66 H149 A172 | 0SV | | 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- (5-HYDROXYPENTYL)UREA | 4f7n | A | Y32 S62 R65 E66 H149 A172 |
LBS | AA sequence | # species | Species |
A100 | LLFDYAEHDLW | 2 | Homo sapiens, Mus musculus | A100 | LLLDYAEHDLW | 1 | Caenorhabditis elegans | A100 | LLIDYAEHDLW | 1 | Drosophila melanogaster | A100 | LLFDFAEHDLW | 1 | Xenopus tropicalis | A155 | RDLKPANILVM | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | A155 | RDLKPANILLM | 1 | Caenorhabditis elegans | A172 | GRVKIADMGFA | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | A172 | GRVKIADLGFS | 1 | Caenorhabditis elegans | A50 | DDKDYALKQIE | 2 | Homo sapiens, Mus musculus | A50 | PNKEYALKMIE | 1 | Caenorhabditis elegans | A50 | DGKEYALKQID | 1 | Drosophila melanogaster | A50 | DDRDYALKQIE | 1 | Xenopus tropicalis | D103 | DYAEHDLWHII | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | D103 | DYAEHDLWHVI | 1 | Caenorhabditis elegans | D103 | DFAEHDLWHII | 1 | Xenopus tropicalis | D173 | RVKIADMGFAR | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | D173 | RVKIADLGFSR | 1 | Caenorhabditis elegans | D98 | VWLLFDYAEHD | 2 | Homo sapiens, Mus musculus | D98 | VWLLLDYAEHD | 1 | Caenorhabditis elegans | D98 | VFLLIDYAEHD | 1 | Drosophila melanogaster | D98 | VWLLFDFAEHD | 1 | Xenopus tropicalis | E101 | LFDYAEHDLWH | 2 | Homo sapiens, Mus musculus | E101 | LLDYAEHDLWH | 1 | Caenorhabditis elegans | E101 | LIDYAEHDLWH | 1 | Drosophila melanogaster | E101 | LFDFAEHDLWH | 1 | Xenopus tropicalis | E66 | MSACREIALLR | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | E66 | MSACREIALFR | 1 | Caenorhabditis elegans | F97 | KVWLLFDYAEH | 2 | Homo sapiens, Mus musculus | F97 | KVWLLLDYAEH | 1 | Caenorhabditis elegans | F97 | KVFLLIDYAEH | 1 | Drosophila melanogaster | F97 | KVWLLFDFAEH | 1 | Xenopus tropicalis | H106 | EHDLWHIIKFH | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | H106 | EHDLWHVIKHH | 1 | Caenorhabditis elegans | H149 | ANWVLHRDLKP | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | H149 | SNWVLHRDLKP | 2 | Caenorhabditis elegans, Drosophila melanogaster | I171 | RGRVKIADMGF | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | I171 | RGRVKIADLGF | 1 | Caenorhabditis elegans | I79 | KHPNVISLQKV | 2 | Homo sapiens, Xenopus tropicalis | I79 | RHPNLICLQRV | 1 | Caenorhabditis elegans | I79 | KHQNVITLIRV | 1 | Drosophila melanogaster | I79 | KHPNVISLLKV | 1 | Mus musculus | K52 | KDYALKQIEGT | 2 | Homo sapiens, Mus musculus | K52 | KEYALKMIEGQ | 1 | Caenorhabditis elegans | K52 | KEYALKQIDGT | 1 | Drosophila melanogaster | K52 | RDYALKQIEGT | 1 | Xenopus tropicalis | L142 | DGIHYLHANWV | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | L142 | SGMHYLHSNWV | 1 | Caenorhabditis elegans | L142 | DGIHYLHSNWV | 1 | Drosophila melanogaster | L158 | KPANILVMGEG | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | L158 | KPANILLMGDG | 1 | Caenorhabditis elegans | L158 | KPANILVMGDG | 1 | Drosophila melanogaster | L70 | REIALLRELKH | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | L70 | REIALFRELRH | 1 | Caenorhabditis elegans | L73 | ALLRELKHPNV | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | L73 | ALFRELRHPNL | 1 | Caenorhabditis elegans | L73 | ALLRELKHQNV | 1 | Drosophila melanogaster | M174 | VKIADMGFARL | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | M174 | VKIADLGFSRI | 1 | Caenorhabditis elegans | R356 | IPYPKREFLTE | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | R356 | IPYAKKEQQMT | 1 | Caenorhabditis elegans | R356 | IPYPKREFLTD | 1 | Drosophila melanogaster | R65 | SMSACREIALL | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | R65 | SMSACREIALF | 1 | Caenorhabditis elegans | S62 | TGISMSACREI | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | S62 | QGFSMSACREI | 1 | Caenorhabditis elegans | S62 | TGLSMSACREI | 1 | Drosophila melanogaster | V147 | LHANWVLHRDL | 3 | Homo sapiens, Xenopus tropicalis, Mus musculus | V147 | LHSNWVLHRDL | 2 | Caenorhabditis elegans, Drosophila melanogaster | V27 | EGCK-VGRGTY | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | V27 | ENSKEIGRGTY | 1 | Caenorhabditis elegans | V35 | GTYGHVYKA-- | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | V35 | GTYGLVYKAVP | 1 | Caenorhabditis elegans | V78 | LKHPNVISLQK | 2 | Homo sapiens, Xenopus tropicalis | V78 | LRHPNLICLQR | 1 | Caenorhabditis elegans | V78 | LKHQNVITLIR | 1 | Drosophila melanogaster | V78 | LKHPNVISLLK | 1 | Mus musculus | W105 | AEHDLWHIIKF | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | W105 | AEHDLWHVIKH | 1 | Caenorhabditis elegans | Y32 | VGRGTYGHVYK | 4 | Homo sapiens, Drosophila melanogaster, Xenopus tropicalis, Mus musculus | Y32 | IGRGTYGLVYK | 1 | Caenorhabditis elegans | Y99 | WLLFDYAEHDL | 2 | Homo sapiens, Mus musculus | Y99 | WLLLDYAEHDL | 1 | Caenorhabditis elegans | Y99 | FLLIDYAEHDL | 1 | Drosophila melanogaster | Y99 | WLLFDFAEHDL | 1 | Xenopus tropicalis |