Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
NMN | | NICOTINAMIDE MONONUCLEOTIDE | 2gvg | A | D354 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 2gvg | C | D354 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 2gvg | D | D354 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 2gvg | E | D354 | PRP | | 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE | 3dkj | B | D354 | DGB | | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE | 4o1b | A | G185 H191 S275 | DGB | | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE | 4o1b | B | G185 H191 S275 | 20J | | 7-CHLORO-3-METHYL-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE | 4lv9 | A | H191 | 20J | | 7-CHLORO-3-METHYL-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE | 4lv9 | B | H191 | 1EB | | N-(4-NITROPHENYL)CYCLOPROPANECARBOXAMIDE | 4lvd | B | H191 | 1EB | | N-(4-NITROPHENYL)CYCLOPROPANECARBOXAMIDE | 4lvd | A | H191 | DGB | | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE | 2gvj | A | H191 S275 | 1LS | | 1-[4-(PIPERIDIN-1-YLSULFONYL)PHENYL]-3-(PYRIDIN-3- YLMETHYL)THIOUREA | 4jr5 | A | H191 S275 | 1LS | | 1-[4-(PIPERIDIN-1-YLSULFONYL)PHENYL]-3-(PYRIDIN-3- YLMETHYL)THIOUREA | 4jr5 | B | H191 S275 | 1QR | | N-[4-(PIPERIDIN-1-YLSULFONYL)BENZYL]-1H-PYRROLO[3,2- C]PYRIDINE-2-CARBOXAMIDE | 4kfn | A | H191 S275 | 1QR | | N-[4-(PIPERIDIN-1-YLSULFONYL)BENZYL]-1H-PYRROLO[3,2- C]PYRIDINE-2-CARBOXAMIDE | 4kfn | B | H191 S275 | 1QS | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE | 4kfo | A | H191 S275 | 1QS | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE | 4kfo | B | H191 S275 | 1LJ | | 1-[(6-AMINOPYRIDIN-3-YL)METHYL]-3-[4-(PHENYLSULFONYL) PHENYL]UREA | 4jnm | A | H191 S275 | 1LJ | | 1-[(6-AMINOPYRIDIN-3-YL)METHYL]-3-[4-(PHENYLSULFONYL) PHENYL]UREA | 4jnm | B | H191 S275 | 1R7 | | N-(4-{[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4- YL]SULFONYL}BENZYL)-2H-PYRROLO[3,4-C]PYRIDINE-2- CARBOXAMIDE | 4kfp | A | H191 S275 | 1R7 | | N-(4-{[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4- YL]SULFONYL}BENZYL)-2H-PYRROLO[3,4-C]PYRIDINE-2- CARBOXAMIDE | 4kfp | B | H191 S275 | 20M | | N-(4-{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1- YL]SULFONYL}BENZYL)-2H-PYRIDO[4,3-E][1,2,4]THIADIAZIN- 3-AMINE 1,1-DIOXIDE | 4lva | A | H191 S275 | 20M | | N-(4-{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1- YL]SULFONYL}BENZYL)-2H-PYRIDO[4,3-E][1,2,4]THIADIAZIN- 3-AMINE 1,1-DIOXIDE | 4lva | B | H191 S275 | 20N | | N-[4-(ACETYLAMINO)PHENYL]CYCLOPROPANECARBOXAMIDE | 4lvb | A | H191 S275 | 20N | | N-[4-(ACETYLAMINO)PHENYL]CYCLOPROPANECARBOXAMIDE | 4lvb | B | H191 S275 | 20P | | (1S,2S)-2-PHENYL-N-(PYRIDIN-4-YL) CYCLOPROPANECARBOXAMIDE | 4lvf | A | H191 S275 | 20P | | (1S,2S)-2-PHENYL-N-(PYRIDIN-4-YL) CYCLOPROPANECARBOXAMIDE | 4lvf | B | H191 S275 | 20O | | (1S,2S)-N-[4-(PHENYLSULFONYL)PHENYL]-2-(PYRIDIN-3-YL) CYCLOPROPANECARBOXAMIDE | 4lvg | A | H191 S275 | 20O | | (1S,2S)-N-[4-(PHENYLSULFONYL)PHENYL]-2-(PYRIDIN-3-YL) CYCLOPROPANECARBOXAMIDE | 4lvg | B | H191 S275 | 20R | | N-[4-(PHENYLSULFONYL)BENZYL]-2H-PYRAZOLO[3,4- B]PYRIDINE-5-CARBOXAMIDE | 4m6p | A | H191 S275 | 20R | | N-[4-(PHENYLSULFONYL)BENZYL]-2H-PYRAZOLO[3,4- B]PYRIDINE-5-CARBOXAMIDE | 4m6p | B | H191 S275 | 20T | | 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-N-(4-{[3- (TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-1H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE | 4m6q | A | H191 S275 | 20T | | 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-N-(4-{[3- (TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-1H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE | 4m6q | B | H191 S275 | LTS | | 2-CYANO-1-PYRIDIN-4-YL-3-(4-{[3-(TRIFLUOROMETHOXY) PHENYL]SULFONYL}BENZYL)GUANIDINE | 4lts | A | H191 S275 | LTS | | 2-CYANO-1-PYRIDIN-4-YL-3-(4-{[3-(TRIFLUOROMETHOXY) PHENYL]SULFONYL}BENZYL)GUANIDINE | 4lts | B | H191 S275 | LWW | | N-(4-(PHENYLSULFONYL)BENZYL)-1H-PYRROLO[3,2-C]PYRIDINE- 2-CARBOXAMIDE | 4lww | A | H191 S275 | LWW | | N-(4-(PHENYLSULFONYL)BENZYL)-1H-PYRROLO[3,2-C]PYRIDINE- 2-CARBOXAMIDE | 4lww | B | H191 S275 | 2ZM | | 5-NITRO-1H-BENZIMIDAZOLE | 4n9c | A | H191 S275 | 2ZM | | 5-NITRO-1H-BENZIMIDAZOLE | 4n9c | B | H191 S275 | 2HJ | | 4-({[(4-TERT-BUTYLPHENYL)SULFONYL]AMINO}METHYL)-N- (PYRIDIN-3-YL)BENZAMIDE | 4n9d | A | H191 S275 | 2HJ | | 4-({[(4-TERT-BUTYLPHENYL)SULFONYL]AMINO}METHYL)-N- (PYRIDIN-3-YL)BENZAMIDE | 4n9d | B | H191 S275 | 2HL | | 1-[(1-BENZOYLPIPERIDIN-4-YL)METHYL]-N-(PYRIDIN-3-YL)- 1H-BENZIMIDAZOLE-5-CARBOXAMIDE | 4n9e | A | H191 S275 | 2HL | | 1-[(1-BENZOYLPIPERIDIN-4-YL)METHYL]-N-(PYRIDIN-3-YL)- 1H-BENZIMIDAZOLE-5-CARBOXAMIDE | 4n9e | B | H191 S275 | 1XC | | 6-({4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}CARBAMOYL)- 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)IMIDAZO[1,2- A]PYRIDIN-1-IUM | 4l4l | A | H191 S275 | 1XC | | 6-({4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}CARBAMOYL)- 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)IMIDAZO[1,2- A]PYRIDIN-1-IUM | 4l4l | B | H191 S275 | 1XD | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-7-CARBOXAMIDE | 4l4m | A | H191 S275 | 1XD | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-7-CARBOXAMIDE | 4l4m | B | H191 S275 | 2RM | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-6- CARBOXAMIDE | 4o0z | A | H191 S275 | 2RM | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-6- CARBOXAMIDE | 4o0z | B | H191 S275 | 2QF | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-7- CARBOXAMIDE | 4o10 | A | H191 S275 | 2QF | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-7- CARBOXAMIDE | 4o10 | B | H191 S275 | 2QG | | 2-[6-(4-CHLOROPHENOXY)HEXYL]-1-CYANO-3-PYRIDIN-4- YLGUANIDINE | 4o12 | A | H191 S275 | 2QG | | 2-[6-(4-CHLOROPHENOXY)HEXYL]-1-CYANO-3-PYRIDIN-4- YLGUANIDINE | 4o12 | B | H191 S275 | 2P1 | | N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE | 4o13 | A | H191 S275 | 2P1 | | N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE | 4o13 | B | H191 S275 | 2P1 | | N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE | 4o15 | A | H191 S275 | 2P1 | | N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE | 4o15 | B | H191 S275 | 1XC | | 6-({4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}CARBAMOYL)- 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)IMIDAZO[1,2- A]PYRIDIN-1-IUM | 4o16 | A | H191 S275 | 1QS | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE | 4o28 | A | H191 S275 | 1QS | | N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE | 4o28 | B | H191 S275 | 3TQ | | N-(4-{(S)-[1-(2-METHYLPROPYL)PIPERIDIN-4- YL]SULFINYL}BENZYL)FURO[2,3-C]PYRIDINE-2-CARBOXAMIDE | 4wq6 | A | H191 S275 | 3TQ | | N-(4-{(S)-[1-(2-METHYLPROPYL)PIPERIDIN-4- YL]SULFINYL}BENZYL)FURO[2,3-C]PYRIDINE-2-CARBOXAMIDE | 4wq6 | B | H191 S275 | BEF | | TRIFLUOROBERYLLATE(1-) | 3dhf | A | K415 | BEF | | TRIFLUOROBERYLLATE(1-) | 3dhf | B | K415 | BEF | | TRIFLUOROBERYLLATE(1-) | 3dkl | A | K415 | BEF | | TRIFLUOROBERYLLATE(1-) | 3dkl | B | K415 | POP | | DIPHOSPHATE(2-) | 3dhd | A | K415 K423 | POP | | DIPHOSPHATE(2-) | 3dhd | B | K415 K423 | POP | | DIPHOSPHATE(2-) | 3dhf | A | K415 K423 | POP | | DIPHOSPHATE(2-) | 3dhf | B | K415 K423 | PRP | | 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE | 3dkl | A | K415 K423 | PRP | | 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE | 3dkl | B | K415 K423 | PRP | | 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE | 3dkj | A | K423 | PRP | | 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE | 3dkj | B | K423 | POP | | DIPHOSPHATE(2-) | 4m6q | B | K423 | DGB | | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE | 2gvj | B | S275 | 20J | | 7-CHLORO-3-METHYL-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE | 4lv9 | A | S275 | 2HH | | 1-METHYL-N-(PYRIDIN-3-YL)-1H-PYRAZOLE-5-CARBOXAMIDE | 4n9b | A | S275 | 2HH | | 1-METHYL-N-(PYRIDIN-3-YL)-1H-PYRAZOLE-5-CARBOXAMIDE | 4n9b | B | S275 | DGB | | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE | 4o1d | A | S275 | DGB | | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE | 4o1d | B | S275 |
LBS | AA sequence | # species | Species |
A244 | GYSVPAAEHST | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | A245 | YSVPAAEHSTI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | A379 | SIENVSFGSGG | 2 | Mus musculus, Rattus norvegicus | A379 | SIENIAFGSGG | 1 | Homo sapiens | D16 | ILLATDSYKVT | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D219 | NFKGTDTVAGI | 2 | Mus musculus, Rattus norvegicus | D219 | NFKGTDTVAGL | 1 | Homo sapiens | D313 | LIIRPDSGNPL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D354 | RVIQGDGVDIN | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E246 | SVPAAEHSTIT | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E376 | KKWSIENVSFG | 2 | Mus musculus, Rattus norvegicus | E376 | KMWSIENIAFG | 1 | Homo sapiens | F193 | YKLHDFGYRGV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G185 | SGNLDGLEYKL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G217 | LVNFKGTDTVA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G353 | LRVIQGDGVDI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G383 | VSFGSGGALLQ | 2 | Mus musculus, Rattus norvegicus | G383 | IAFGSGGGLLQ | 1 | Homo sapiens | G384 | SFGSGGALLQK | 2 | Mus musculus, Rattus norvegicus | G384 | AFGSGGGLLQK | 1 | Homo sapiens | H191 | LEYKLHDFGYR | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | H247 | VPAAEHSTITA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I309 | TEAPLIIRPDS | 2 | Mus musculus, Rattus norvegicus | I309 | TQAPLIIRPDS | 1 | Homo sapiens | I351 | PYLRVIQGDGV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I378 | WSIENVSFGSG | 2 | Mus musculus, Rattus norvegicus | I378 | WSIENIAFGSG | 1 | Homo sapiens | K189 | DGLEYKLHDFG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K400 | LNCSFKCSYVV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K415 | GVNVFKDPVAD | 2 | Mus musculus, Rattus norvegicus | K415 | GINVFKDPVAD | 1 | Homo sapiens | K423 | VADPNKRSKKG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | N377 | KWSIENVSFGS | 2 | Mus musculus, Rattus norvegicus | N377 | MWSIENIAFGS | 1 | Homo sapiens | P273 | QFSSVPVSVVS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | P307 | RSTEAPLIIRP | 2 | Mus musculus, Rattus norvegicus | P307 | RSTQAPLIIRP | 1 | Homo sapiens | Q305 | VSRSTEAPLII | 2 | Mus musculus, Rattus norvegicus | Q305 | VSRSTQAPLII | 1 | Homo sapiens | R196 | HDFGYRGVSSQ | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | R311 | APLIIRPDSGN | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | R349 | LPPYLRVIQGD | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | R392 | LQKLTRDLLNC | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S241 | PVPGYSVPAAE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S275 | SSVPVSVVSDS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S398 | DLLNCSFKCSY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T304 | IVSRSTEAPLI | 2 | Mus musculus, Rattus norvegicus | T304 | IVSRSTQAPLI | 1 | Homo sapiens | V242 | VPGYSVPAAEH | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V350 | PPYLRVIQGDG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Y18 | LATDSYKVTHY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Y188 | LDGLEYKLHDF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Y240 | DPVPGYSVPAA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus |