Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01855616
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 |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | ![]() |
U89![]() | N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO- 6-OXO-4-PYRIMIDINYL)-PROPYL]-[2- ((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)- AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]- 1-GLUTAMIC ACID | A,B | 1GAR | 0.7 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 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 | ![]() |
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 | 0.71 | ![]() |
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,B,C,D | 1NX9 | 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 | 1H8S | 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 | 2EX6 | 0.71 | ![]() |
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 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.7 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.7 | ![]() |
FBD![]() | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)- L-glutamic acid | A | 3D7D | 0.75 | ![]() |
LHY![]() | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.71 | ![]() |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.74 | ![]() |
IBG![]() | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.71 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.77 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.77 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.73 | ![]() |
ING![]() | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.73 | ![]() |
TYX![]() | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.81 | ![]() |
L98![]() | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG8 | 0.72 | ![]() |
GBI![]() | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.71 | ![]() |
SM1![]() | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.75 | ![]() |
GEP![]() | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.74 | ![]() |
FG1![]() | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)- PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}- ETHYL)-PHENYL]-OXALAMIC ACID | A | 1NWE | 0.72 | ![]() |
4CP![]() | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.7 | ![]() |
GBP![]() | S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE | A,B | 1QH5 | 0.71 | ![]() |
GAS![]() | B,H | 1ETZ | 0.72 | ![]() | |
GAS![]() | H | 2CGR | 0.72 | ![]() | |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.71 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.71 | ![]() |
D5G![]() | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)- N-((3S)-TETRAHYDRO-2-HYDROXY-3- FURANYL)PENTANAMIDE | A | 2G8E | 0.74 | ![]() |
G23![]() | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.73 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1GHP | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1PWC | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1FQG | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.71 | ![]() |
INF![]() | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.71 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.72 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.75 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.75 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.75 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.75 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.75 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.75 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.75 | ![]() |
FOE![]() | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.81 | ![]() |
OIR![]() | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.71 | ![]() |
GIP![]() | S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE | A,B | 1QIN | 0.74 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.77 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.77 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.77 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.71 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.71 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.71 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.71 | ![]() |
NOX![]() | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.71 | ![]() |
MX5![]() | {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)- YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | B,I | 2C2Z | 0.72 | ![]() |
DNS![]() | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.71 | ![]() |
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 | ![]() |
LO1![]() | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.78 | ![]() |
TIN![]() | A,B | 1N94 | 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 | 1W2N | 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 | 1UNB | 0.71 | ![]() |
DOE![]() | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.79 | ![]() |
LIZ![]() | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}- N-{(2R)-2-[bis(carboxymethyl)amino]- 3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine | A,B | 3DSZ | 0.75 | ![]() |
W22![]() | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.77 | ![]() |