Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03152998
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 |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.71 | |
VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A | 2P86 | 0.72 | |
VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A,B,C | 1F29 | 0.72 | |
C4P | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.73 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.71 | |
A00 | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}- 6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)- beta-phenyl-L-phenylalaninamide | A,B | 2QMP | 0.77 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2P | 0.75 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2O | 0.75 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2Q | 0.75 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2R | 0.75 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2W | 0.75 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2T | 0.75 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.73 | |
LZ6 | L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine | A,B,C,D | 3CSI | 0.75 | |
LZ6 | L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine | A,B | 3CSH | 0.75 | |
HPI | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.7 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.74 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.71 | |
4CP | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.73 | |
OAP | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.75 | |
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 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.73 | |
2CE | N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)- ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVS | 0.74 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.72 | |
739 | 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO- 3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE | A,B | 1JCQ | 0.71 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.7 | |
PNN | PENICILLIN G | B | 1FXV | 0.7 | |
PNN | PENICILLIN G | A | 1UOF | 0.7 | |
PNN | PENICILLIN G | A | 1UOB | 0.7 | |
BQM | 3-({4-[(1E)-3-morpholin-4-yl-3- oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline | B,C | 3BQM | 0.71 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.74 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.74 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.74 | |
B22 | [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)- 2-OXOETHYL]IMINO}DIACETATO(2-)- KAPPAO]COPPER | A | 2FOU | 0.72 | |
901 | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID | A | 1NZ7 | 0.71 | |
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 | 0.72 | |
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 | 1UNB | 0.72 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.75 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.76 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.76 | |
1C2 | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.7 | |
TST | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.71 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
SUB | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.79 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.74 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.74 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.74 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.74 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.74 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.74 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.74 | |
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 | 0.72 | |
C1P | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~- [(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP- 2-ENYL]-D-LEUCINAMIDE | A,B | 1NPZ | 0.72 | |
478 | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL- AMINO]-1-BENZYL-2-HYDROXY-PROPYL}- CARBAMIC ACID TETRAHYDRO-FURAN- 3-YL ESTER | B | 1HPV | 0.71 | |
478 | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL- AMINO]-1-BENZYL-2-HYDROXY-PROPYL}- CARBAMIC ACID TETRAHYDRO-FURAN- 3-YL ESTER | A,B | 1T7J | 0.71 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 0.71 | |
ICX | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.72 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.72 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.72 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.72 | |
FOE | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.71 | |
NC1 | NITROCEFIN ACYL-SERINE | A,B | 1MWS | 0.71 | |
NC1 | NITROCEFIN ACYL-SERINE | A | 2UWX | 0.71 | |
DNS | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.71 | |
ENT | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6Y | 0.7 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 5GST | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1HNA | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1VF3 | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C,D | 1HNC | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C | 1XWK | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 18GS | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1GSQ | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1HNB | 0.72 | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.7 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.72 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.72 | |
VG3 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.74 | |
S17 | methyl 4-bromo-N-[8-(hydroxyamino)- 8-oxooctanoyl]-L-phenylalaninate | A,B,C,D | 2VCG | 0.7 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.73 | |
FEX | A | 1OSH | 0.71 | ||
SK2 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | A | 2F6V | 0.7 | |
MYP | 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1- (3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)- 2-PHENYLETHYL]-AMIDE | A,B | 1M6D | 0.72 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.7 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.77 | |
MUW | N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]- 6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)- BETA-PHENYL-L-PHENYLALANINAMIDE | A,B | 2Q3K | 0.71 | |
TIN | A,B | 1N94 | 0.72 |