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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02594986

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNMOPEN FORM - PENICILLIN GA1GHP0.78
PNMOPEN FORM - PENICILLIN GA1PWC0.78
PNMOPEN FORM - PENICILLIN GA1IYQ0.78
PNMOPEN FORM - PENICILLIN GA1FQG0.78
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.78
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.78
PNMOPEN FORM - PENICILLIN GA2EX80.78
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.7
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID
A,B1F4G0.7
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.71
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid
A3D7D0.72
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
RRT(R)-RETRO-THIORPHANE1Z9G0.72
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.71
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.77
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.77
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.71
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
N1MMJ0.73
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXI0.72
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXH0.72
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXJ0.72
PNNPENICILLIN GA,B1GM70.78
PNNPENICILLIN GB1FXV0.78
PNNPENICILLIN GA1UOF0.78
PNNPENICILLIN GA1UOB0.78
BCSBENZYLCYSTEINEA,B,G,H10GS0.71
BCSBENZYLCYSTEINEA1EH80.71
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
A2J7L0.71
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.72
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.72
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.75
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
A1W2N0.77
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
A1UNB0.77
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE
A,B2BKL0.7
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.79
PG1PENICILLIN G ACYL-SERINEA,B1XA70.73
PG1PENICILLIN G ACYL-SERINEA2IWC0.73
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.73
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
A2RDD0.77
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,D1NX90.77
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
A1H8S0.77
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
A2EX60.77
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE
A,B1HTF0.7
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.73
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.73
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)
A1QF20.71
TTXTENTOXINB1KMH0.73
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.73
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.72
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.75
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.75
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.75
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE
A,B1F4F0.71
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.72
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.75
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.75
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.75
TINA,B1N940.72
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
B1GM80.77
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,B1GM90.77
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71