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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02279468

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AO1(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-
((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE		A1R5G0.8
M1N(1R)-3-METHYL-1-{[N-(MORPHOLIN-
4-YLCARBONYL)-3-(1-NAPHTHYL)-D-
ALANYL]AMINO}BUTYLBORONIC ACID		2,C,E,G,H,J,
L,N,P,R,T,V,
X,Z		2FHH0.71
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		A1R1H0.74
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE		L3B7R0.74
PNNPENICILLIN GA,B1GM70.73
PNNPENICILLIN GB1FXV0.73
PNNPENICILLIN GA1UOF0.73
PNNPENICILLIN GA1UOB0.73
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.79
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B1MTC0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B5FWG0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2PGT0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3FYG0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B3GST0.76
PG1PENICILLIN G ACYL-SERINEA,B1XA70.7
PG1PENICILLIN G ACYL-SERINEA2IWC0.7
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.7
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.78
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER		A1J4H0.7
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE		A4FIV0.73
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE		A1ODY0.73
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE		A2FMB0.73
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.73
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE		A,B2FV90.71
TINA,B1N940.81
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.79
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		A1HTE0.76
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine		A2R590.73
PNMOPEN FORM - PENICILLIN GA1GHP0.75
PNMOPEN FORM - PENICILLIN GA1PWC0.75
PNMOPEN FORM - PENICILLIN GA1IYQ0.75
PNMOPEN FORM - PENICILLIN GA1FQG0.75
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.75
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.75
PNMOPEN FORM - PENICILLIN GA2EX80.75
GBX2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-
2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-
TETRAHYDRO-BENZO[DEF]CHRYSEN-10-
YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID		A,B4PGT0.73
GBX2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-
2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-
TETRAHYDRO-BENZO[DEF]CHRYSEN-10-
YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID		A,B3PGT0.73
GBX2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-
2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-
TETRAHYDRO-BENZO[DEF]CHRYSEN-10-
YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID		A,B1F3B0.73
GBX2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-
2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-
TETRAHYDRO-BENZO[DEF]CHRYSEN-10-
YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID		A,B1ML60.73
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR		A1QF00.7
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		A1W2N0.72
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		A1UNB0.72
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE		A,B,C,D2C4J0.7
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid		A3D7D0.74
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.86
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.73
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C8T0.76
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C3I0.76
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine		X3B7U0.71
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.75
BAYB1VIK0.74
BAYA1VIJ0.74
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID		A1J4I0.74
RRT(R)-RETRO-THIORPHANE1Z9G0.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.73
BCSBENZYLCYSTEINEA1EH80.73
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.75
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		A2RDD0.72
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,D1NX90.72
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		A1H8S0.72
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		A2EX60.72
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.75
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)		A1QF20.71
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.73
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.77
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.77
FRFPHE-REDUCED-PHEA,I1GVX0.71
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE		A,B1HTF0.72
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.7
HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-
3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-
PHENYLALANINOL		A1FMB0.81
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.71
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.71
XC2(3R)-8-CYCLOPROPYL-6-(MORPHOLIN-
4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-
5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-
A]PYRIDINE-3-CARBOXYLIC ACID		A2J7L0.72
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID		A,B,C,D,E,F1KVO0.8
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B2GST0.76
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSW0.76
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSV0.76
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A1B4P0.76
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSX0.76
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE		A,B6GSU0.76
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.72
SOXN-[(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		B1GM80.72
SOXN-[(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,B1GM90.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1R1I0.76
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1QF10.76