Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00917820
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
GS5 | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL- 2-MORPHOLIN-4-YL-2-OXOETHYL]-2- OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE- 2-SULFONAMIDE | A | 2J38 | 0.72 | |
4MC | (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL- 1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN- 2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE | A,C | 2EFM | 0.75 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.73 | |
STB | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.74 | |
GS6 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL- 2-MORPHOLIN-4-YL-2-OXOETHYL]-2- OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE- 2-SULFONAMIDE | A | 2J34 | 0.72 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.72 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.72 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.72 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.72 | |
D1R | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A | 2P7U | 0.79 | |
D1R | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A,C | 2OZ2 | 0.79 | |
YDP | (3S,4S),-3,4-Bis-[(4-carbamoyl- benzensulfonyl)-(3-methyl-but-2- enyl)-amino]-pyrrolidine | A | 2ZGA | 0.76 | |
YDP | (3S,4S),-3,4-Bis-[(4-carbamoyl- benzensulfonyl)-(3-methyl-but-2- enyl)-amino]-pyrrolidine | A,B | 3CKT | 0.76 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.76 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.76 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.73 | |
CRJ | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)- 5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)- N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4- FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | A,B | 2FQ9 | 0.73 | |
VG3 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.71 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.73 | |
SUB | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.78 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.8 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.8 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.8 | |
OAP | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.72 | |
MQQ | N-[(1S)-1-[({(1S)-3-PHENYL-1-[2- (PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]- 3-(PHENYLSULFONYL)PROPYL]MORPHOLINE- 4-CARBOXAMIDE | A | 2G6D | 0.72 | |
F20 | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.73 | |
MZ2 | (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY- 3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- 4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE | A,B | 2QHZ | 0.73 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R38 | 0.71 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | A,B | 2PWR | 0.71 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R3T | 0.71 | |
EG3 | PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNY | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.73 | |
PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.73 | |
PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.73 | |
PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.73 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.73 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.73 | |
PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.73 | |
IZ4 | N-{(1S)-2-{4-[(5S)-1,1-dioxido- 3-oxoisothiazolidin-5-yl]phenyl}- 1-[(4R)-4-(2-phenylethyl)-4,5-dihydro- 1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide | A | 2VEX | 0.72 | |
PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1W2N | 0.7 | |
PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1UNB | 0.7 | |
160 | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE- 2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID | A,B | 1NMQ | 0.77 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.73 | |
MIU | N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN- 1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}- 3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE | H | 1W7G | 0.71 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.7 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1JK3 | 0.88 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1MMB | 0.88 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 2RJQ | 0.88 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1RM8 | 0.88 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 2J83 | 0.88 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 1DTH | 0.88 | |
R56 | 5-OXO-6-PHENYLMETHANESULFONYLAMINO- HEXAHYDRO-THIAZOLO[3,2-A]PYRIDINE- 3-CARBOXYLIC ACID (3-GUANIDINO- PROPYL)-AMIDE | F | 1BHX | 0.73 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.72 | |
PNN | PENICILLIN G | B | 1FXV | 0.72 | |
PNN | PENICILLIN G | A | 1UOF | 0.72 | |
PNN | PENICILLIN G | A | 1UOB | 0.72 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.74 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.73 | |
TST | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.76 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.71 | |
VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A | 2P86 | 0.75 | |
VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A,B,C | 1F29 | 0.75 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.73 | |
3CC | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.78 | |
C71 | N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO- 2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)- N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]- L-ALANINAMIDE | A,B | 2FRQ | 0.78 | |
KCP | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYL-3,6-DIHYDRO-2H- [1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.71 | |
RA8 | N-(BENZYLSULFONYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPL | 0.73 | |
MZ1 | N~2~-ACETYL-N-[(1S,2R)-1-BENZYL- 2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5- TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- L-ALANINAMIDE | A,B | 2QHY | 0.77 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.71 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.71 | |
MYP | 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1- (3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)- 2-PHENYLETHYL]-AMIDE | A,B | 1M6D | 0.74 | |
NFT | N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'- (AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2- TRIFLUOROETHYL}-L-LEUCINAMIDE | A | 1VSN | 0.75 | |
LPF | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.72 | |
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.73 | |
AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2RDD | 0.7 | |
AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A,B,C,D | 1NX9 | 0.7 | |
AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1H8S | 0.7 | |
AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2EX6 | 0.7 | |
GSV | 2-(5-chlorothiophen-2-yl)-N-{(3S)- 1-[3-fluoro-2'-(methylsulfonyl)biphenyl- 4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide | A | 2VH6 | 0.71 | |
AL5 | THIOPHENE-2,5-DISULFONIC ACID 2- AMIDE-5-(4-METHYL-BENZYLAMIDE) | A | 1BN1 | 0.74 | |
C4P | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.71 | |
ETS | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO- 6-METHYL-4H-THIENO(2,3-B)THIOPYRAN- 2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIL | 0.73 | |
CED | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN- 2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO- 2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | A | 1GHM | 0.7 | |
IZD | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.82 | |
CTB | N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID | A,B | 1FSW | 0.71 | |
C1P | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~- [(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP- 2-ENYL]-D-LEUCINAMIDE | A,B,C,D | 3BWK | 0.74 | |
C1P | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~- [(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP- 2-ENYL]-D-LEUCINAMIDE | A,B | 1NPZ | 0.74 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.72 | |
MTS | (4S-TRANS)-4-(METHYLAMINO)-5,6- DIHYDRO-6-METHYL-4H-THIENO(2,3- B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIN | 0.72 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.7 | |
F17 | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL- 5-YL)PHENYL]ACETYL}-L-PHENYLALANYL- 4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL- 5-YL)-L-PHENYLALANINAMIDE | A | 2CMB | 0.72 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.72 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.72 | |
TP2 | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4D | 0.83 | |
TP2 | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4C | 0.83 | |
SOX | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | B | 1GM8 | 0.72 | |
SOX | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | A,B | 1GM9 | 0.72 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.76 | |
SM4 | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.74 |