Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
WY1 | | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO] PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID | 4bcr | A | L258 | 544 | | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | 1k7l | A | L321 M330 | 544 | | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | 1k7l | C | L321 M330 | 544 | | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | 1k7l | E | L321 M330 | 544 | | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | 1k7l | G | L321 M330 | MMB | | (R,E)-2-(4-((5-METHYL-2-PHENYLOXAZOL-4-YL)METHOXY)BENZYL)-3-(PROPOXYIMINO)BUTANOIC ACID | 2npa | A | L321 M330 | MMB | | (R,E)-2-(4-((5-METHYL-2-PHENYLOXAZOL-4-YL)METHOXY)BENZYL)-3-(PROPOXYIMINO)BUTANOIC ACID | 2npa | C | L321 M330 | 735 | | 2-METHYL-2-PHENOXYPROPANOIC ACID | 2p54 | A | L321 M330 | REW | | 4-[2-(3-{[(2S,3S)-2-CARBOXY-1-(4-METHOXYPHENYL)-4-OXOAZETIDIN-3-YL]METHYL}PHENOXY)ETHYL]-5-METHYL-2-PHENYL-1,3-OXAZOL-3-IUM | 2rew | A | L321 M330 | 7HA | | N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-(METHOXYCARBONYL)GLYCINE | 3kdt | A | L321 M330 | 7HA | | N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-(METHOXYCARBONYL)GLYCINE | 3kdt | B | L321 M330 | NKS | | N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-[(4-METHYLPHENOXY)CARBONYL]GLYCINE | 3kdu | A | L321 M330 | NKS | | N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-[(4-METHYLPHENOXY)CARBONYL]GLYCINE | 3kdu | B | L321 M330 | 13M | | (2S)-2-(4-METHOXY-3-{[(PYREN-1-YLCARBONYL) AMINO]METHYL}BENZYL)BUTANOIC ACID | 3vi8 | A | L321 M330 | Y1N | | 2-METHYL-2-[4-[2-[4-[(E)-PHENYLDIAZENYL] PHENOXY]ETHYL]PHENOXY]PROPANOIC ACID | 4ci4 | A | L321 M330 | RO7 | | (2S)-2-METHOXY-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]-1-BENZOTHIOPHEN-7-YL}PROPANOIC ACID | 3g8i | A | L321 M330 K358 | WY1 | | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO] PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID | 4bcr | A | L321 M330 K358 | WY1 | | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO] PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID | 4bcr | B | L321 M330 K358 | S44 | | (S)-2-{3-[(4-ADAMANTAN-1-YLBENZOYLAMINO)METHYL]-4-PROPOXYBENZYL} BUTYRIC ACID | 2znn | A | L321 M330 K358 F359 | AZ2 | | AZ 242 | 1i7g | A | M330 | 471 | | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE | 1kkq | B | M330 | 471 | | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE | 1kkq | C | M330 | 471 | | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE | 1kkq | D | M330 | CTM | | 3-{4-[2-(4-CHLORO-PHENYL)-THIAZOL-4-YLMETHOXY]-2-METHYL-PHENYL}-2-(S)-ETHOXY-PROPIONIC ACID | 3fei | A | M330 |
LBS | AA sequence | # species | Species |
A207 | DLKSLAKRIYE | 2 | Homo sapiens, Canis lupus familiaris | A207 | DLKSLGKRIHE | 1 | Mus musculus | A207 | DLKSLAKRIHE | 1 | Rattus norvegicus | A250 | ETLCMAEKTLV | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | A333 | DGMLVAYGNGF | 2 | Homo sapiens, Canis lupus familiaris | A333 | DGMLIAYGNGF | 2 | Mus musculus, Rattus norvegicus | A454 | KTESDAALHPL | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | C275 | VRIFHCCQCTS | 2 | Homo sapiens, Canis lupus familiaris | C275 | VRFFHCCQCMS | 2 | Mus musculus, Rattus norvegicus | C276 | RIFHCCQCTSV | 2 | Homo sapiens, Canis lupus familiaris | C276 | RFFHCCQCMSV | 2 | Mus musculus, Rattus norvegicus | C278 | FHCCQCTSVET | 2 | Homo sapiens, Canis lupus familiaris | C278 | FHCCQCMSVET | 2 | Mus musculus, Rattus norvegicus | D466 | QEIYRDMY | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | E251 | TLCMAEKTLVA | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | E269 | QNKEAEVRIFH | 2 | Homo sapiens, Canis lupus familiaris | E269 | EDKEAEVRFFH | 1 | Mus musculus | E269 | ENKEAEVRFFH | 1 | Rattus norvegicus | E289 | VTELTEFAKAI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E289 | VTELTEFAKSI | 1 | Canis lupus familiaris | E462 | HPLLQEIYRDM | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | F273 | AEVRIFHCCQC | 2 | Homo sapiens, Canis lupus familiaris | F273 | AEVRFFHCCQC | 2 | Mus musculus, Rattus norvegicus | F297 | KAIPGFANLDL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | F297 | KSIPGFANLDL | 1 | Canis lupus familiaris | F318 | VYEAIFAMLSS | 2 | Homo sapiens, Canis lupus familiaris | F318 | VYEAIFTMLSS | 2 | Mus musculus, Rattus norvegicus | F351 | SLRKPFCDIME | 2 | Homo sapiens, Canis lupus familiaris | F351 | NLRKPFCDIME | 2 | Mus musculus, Rattus norvegicus | F359 | IMEPKFDFAMK | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | H274 | EVRIFHCCQCT | 2 | Homo sapiens, Canis lupus familiaris | H274 | EVRFFHCCQCM | 2 | Mus musculus, Rattus norvegicus | H411 | HVLKLHLQSNH | 2 | Mus musculus, Rattus norvegicus | H411 | HVLRLHLQSNH | 1 | Homo sapiens | H411 | HVLKLHLQTNH | 1 | Canis lupus familiaris | H440 | QLVTEHAQLVQ | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | I241 | NPPFVIHDMET | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | I263 | LVANGIQNKEA | 2 | Homo sapiens, Canis lupus familiaris | I263 | MVANGVEDKEA | 1 | Mus musculus | I263 | MVANGVENKEA | 1 | Rattus norvegicus | I272 | EAEVRIFHCCQ | 2 | Homo sapiens, Canis lupus familiaris | I272 | EAEVRFFHCCQ | 2 | Mus musculus, Rattus norvegicus | I317 | GVYEAIFAMLS | 2 | Homo sapiens, Canis lupus familiaris | I317 | GVYEAIFTMLS | 2 | Mus musculus, Rattus norvegicus | I339 | YGNGFITREFL | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | I354 | KPFCDIMEPKF | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | I447 | QLVQVIKKTES | 3 | Mus musculus, Rattus norvegicus, Canis lupus familiaris | I447 | QLVQIIKKTES | 1 | Homo sapiens | I463 | PLLQEIYRDMY | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | K204 | ETADLKSLAKR | 3 | Homo sapiens, Rattus norvegicus, Canis lupus familiaris | K204 | ETADLKSLGKR | 1 | Mus musculus | K208 | LKSLAKRIYEA | 2 | Homo sapiens, Canis lupus familiaris | K208 | LKSLGKRIHEA | 1 | Mus musculus | K208 | LKSLAKRIHEA | 1 | Rattus norvegicus | K266 | NGIQNKEAEVR | 2 | Homo sapiens, Canis lupus familiaris | K266 | NGVEDKEAEVR | 1 | Mus musculus | K266 | NGVENKEAEVR | 1 | Rattus norvegicus | K292 | LTEFAKAIPGF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K292 | LTEFAKSIPGF | 1 | Canis lupus familiaris | K310 | QVTLLKYGVYE | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | K358 | DIMEPKFDFAM | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | L247 | HDMETLCMAEK | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | L254 | MAEKTLVAKLV | 2 | Homo sapiens, Canis lupus familiaris | L254 | MAEKTLVAKMV | 2 | Mus musculus, Rattus norvegicus | L258 | TLVAKLVANGI | 2 | Homo sapiens, Canis lupus familiaris | L258 | TLVAKMVANGV | 2 | Mus musculus, Rattus norvegicus | L302 | FANLDLNDQVT | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | L309 | DQVTLLKYGVY | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | L321 | AIFAMLSSVMN | 2 | Homo sapiens, Canis lupus familiaris | L321 | AIFTMLSSLMN | 2 | Mus musculus, Rattus norvegicus | L344 | ITREFLKSLRK | 2 | Homo sapiens, Canis lupus familiaris | L344 | ITREFLKNLRK | 2 | Mus musculus, Rattus norvegicus | L347 | EFLKSLRKPFC | 2 | Homo sapiens, Canis lupus familiaris | L347 | EFLKNLRKPFC | 2 | Mus musculus, Rattus norvegicus | L410 | VHVLKLHLQSN | 2 | Mus musculus, Rattus norvegicus | L410 | VHVLRLHLQSN | 1 | Homo sapiens | L410 | VHVLKLHLQTN | 1 | Canis lupus familiaris | L456 | ESDAALHPLLQ | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | L459 | AALHPLLQEIY | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | L460 | ALHPLLQEIYR | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | M330 | MNKDGMLVAYG | 2 | Homo sapiens, Canis lupus familiaris | M330 | MNKDGMLIAYG | 2 | Mus musculus, Rattus norvegicus | M355 | PFCDIMEPKFD | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | N303 | ANLDLNDQVTL | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | P458 | DAALHPLLQEI | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | Q277 | IFHCCQCTSVE | 2 | Homo sapiens, Canis lupus familiaris | Q277 | FFHCCQCMSVE | 2 | Mus musculus, Rattus norvegicus | Q305 | LDLNDQVTLLK | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | R271 | KEAEVRIFHCC | 2 | Homo sapiens, Canis lupus familiaris | R271 | KEAEVRFFHCC | 2 | Mus musculus, Rattus norvegicus | R465 | LQEIYRDMY | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | S280 | CCQCTSVETVT | 2 | Homo sapiens, Canis lupus familiaris | S280 | CCQCMSVETVT | 2 | Mus musculus, Rattus norvegicus | S373 | LELDDSDISLF | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | T279 | HCCQCTSVETV | 2 | Homo sapiens, Canis lupus familiaris | T279 | HCCQCMSVETV | 2 | Mus musculus, Rattus norvegicus | T283 | CTSVETVTELT | 2 | Homo sapiens, Canis lupus familiaris | T283 | CMSVETVTELT | 2 | Mus musculus, Rattus norvegicus | T285 | SVETVTELTEF | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | T288 | TVTELTEFAKA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T288 | TVTELTEFAKS | 1 | Canis lupus familiaris | T307 | LNDQVTLLKYG | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | V255 | AEKTLVAKLVA | 2 | Homo sapiens, Canis lupus familiaris | V255 | AEKTLVAKMVA | 2 | Mus musculus, Rattus norvegicus | V281 | CQCTSVETVTE | 2 | Homo sapiens, Canis lupus familiaris | V281 | CQCMSVETVTE | 2 | Mus musculus, Rattus norvegicus | V284 | TSVETVTELTE | 2 | Homo sapiens, Canis lupus familiaris | V284 | MSVETVTELTE | 2 | Mus musculus, Rattus norvegicus | V306 | DLNDQVTLLKY | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris | V332 | KDGMLVAYGNG | 2 | Homo sapiens, Canis lupus familiaris | V332 | KDGMLIAYGNG | 2 | Mus musculus, Rattus norvegicus | V444 | EHAQLVQVIKK | 3 | Mus musculus, Rattus norvegicus, Canis lupus familiaris | V444 | EHAQLVQIIKK | 1 | Homo sapiens | Y314 | LKYGVYEAIFA | 2 | Homo sapiens, Canis lupus familiaris | Y314 | LKYGVYEAIFT | 2 | Mus musculus, Rattus norvegicus | Y464 | LLQEIYRDMY | 4 | Homo sapiens, Mus musculus, Rattus norvegicus, Canis lupus familiaris |