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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03677920

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TPRTOSYL-D-PROLINEA1F4E0.73
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.8
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.74
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.7
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE
A,B1HTF0.71
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.8
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.78
PG1PENICILLIN G ACYL-SERINEA,B1XA70.77
PG1PENICILLIN G ACYL-SERINEA2IWC0.77
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.77
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.73
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.73
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.78
HPEHOMOPHENYLALANINEA,B1B1H0.73
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.73
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)
A1QF20.72
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.72
MEAN-METHYLPHENYLALANINEA2PIL0.79
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.79
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.79
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.76
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.79
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.79
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid
A3D7D0.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.75
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.73
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.71
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
A1W2N0.78
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
A1UNB0.78
4PH4-methyl-L-phenylalanineB,C3BV90.73
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.74
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.73
SEBO-BENZYLSULFONYL-SERINEA1IAV0.73
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.73
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.73
SEBO-BENZYLSULFONYL-SERINEA1C9N0.73
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.73
SEBO-BENZYLSULFONYL-SERINEA1GGV0.73
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.73
SEBO-BENZYLSULFONYL-SERINEA1PQA0.73
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.73
SEBO-BENZYLSULFONYL-SERINEA1C9M0.73
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
B1GM80.79
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,B1GM90.79
FRFPHE-REDUCED-PHEA,I1GVX0.75
IOYP-IODO-D-PHENYLALANINEA1XBU0.73
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.79
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.73
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.73
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.73
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.73
DPND-PHENYLALANINEP1MCS0.75
DPND-PHENYLALANINEA1GOE0.75
DPND-PHENYLALANINEA2RM90.75
DPND-PHENYLALANINEA1SOC0.75
DPND-PHENYLALANINEB,C,E,F1SFQ0.75
DPND-PHENYLALANINEI1ABJ0.75
DPND-PHENYLALANINEP1DWE0.75
DPND-PHENYLALANINEI,M1HLT0.75
DPND-PHENYLALANINEA,H,L1J9C0.75
DPND-PHENYLALANINEI,T1TMB0.75
DPND-PHENYLALANINEA2JRY0.75
DPND-PHENYLALANINEA2SOC0.75
DPND-PHENYLALANINEA2YYF0.75
DPND-PHENYLALANINEI2HGT0.75
DPND-PHENYLALANINEA,D2Q3I0.75
DPND-PHENYLALANINEA,P1MCD0.75
DPND-PHENYLALANINEP1HAO0.75
DPND-PHENYLALANINEA,B,I1Z8J0.75
DPND-PHENYLALANINEA,B,C2PGQ0.75
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.75
DPND-PHENYLALANINEP1NRR0.75
DPND-PHENYLALANINEI1PPB0.75
DPND-PHENYLALANINEC,D,G,H1NU70.75
DPND-PHENYLALANINEI2HPP0.75
DPND-PHENYLALANINEB,C2OD30.75
DPND-PHENYLALANINEA1B0Q0.75
DPND-PHENYLALANINEB,C,E,F1NU90.75
DPND-PHENYLALANINEA,B,I1Z8I0.75
DPND-PHENYLALANINEH,I,J1TMU0.75
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.75
DPND-PHENYLALANINEA1GO90.75
DPND-PHENYLALANINEB,C,E,F1A0H0.75
DPND-PHENYLALANINEP1MCF0.75
DPND-PHENYLALANINEA2RME0.75
DPND-PHENYLALANINEH,I1TMT0.75
DPND-PHENYLALANINEI1ABI0.75
DPND-PHENYLALANINER1NRQ0.75
DPND-PHENYLALANINEB,C,F,G2A1D0.75
DPND-PHENYLALANINEA,B2Q330.75
DPND-PHENYLALANINEC,H,L1DAN0.75
DPND-PHENYLALANINEP1MCE0.75
DPND-PHENYLALANINEB,C,E,F2A450.75
DPND-PHENYLALANINEA2RMI0.75
DPND-PHENYLALANINEA,B,I1TQ70.75
DPND-PHENYLALANINEA1W7M0.75
DPND-PHENYLALANINEP1HAP0.75
DPND-PHENYLALANINEA,B1ORF0.75
DPND-PHENYLALANINEI1IHS0.75
DPND-PHENYLALANINEP1MCC0.75
DPND-PHENYLALANINEA2RMD0.75
DPND-PHENYLALANINEA2JQB0.75
DPND-PHENYLALANINEI2HPQ0.75
DPND-PHENYLALANINEC,E,F1SHH0.75
DPND-PHENYLALANINEA,I1CVR0.75
DPND-PHENYLALANINEL,P1AUT0.75
DPND-PHENYLALANINEP1MCI0.75
DPND-PHENYLALANINEH,I3F6U0.75
DPND-PHENYLALANINEA1BFW0.75
DPND-PHENYLALANINEH,I1HAI0.75
DPND-PHENYLALANINEB,C2THF0.75
DPND-PHENYLALANINEI1IHT0.75
DPND-PHENYLALANINEA,P1MCJ0.75
DPND-PHENYLALANINEA1TKH0.75
DPND-PHENYLALANINEC,H,L,T2FIR0.75
DPND-PHENYLALANINEA2FMZ0.75
DPND-PHENYLALANINEA1YL90.75
DPND-PHENYLALANINEI1HUT0.75
DPND-PHENYLALANINEI1FXY0.75
DPND-PHENYLALANINEA1YL80.75
DPND-PHENYLALANINEC,H,L1QFK0.75
DPND-PHENYLALANINEP1MCB0.75
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.73
PNNPENICILLIN GA,B1GM70.8
PNNPENICILLIN GB1FXV0.8
PNNPENICILLIN GA1UOF0.8
PNNPENICILLIN GA1UOB0.8
BCSBENZYLCYSTEINEA,B,G,H10GS0.85
BCSBENZYLCYSTEINEA1EH80.85
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.73
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.7
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.71
PHIIODO-PHENYLALANINEA1TF90.73
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.73
PHIIODO-PHENYLALANINEA1T6H0.73
PHIIODO-PHENYLALANINEA,B,C1NLU0.73
PHIIODO-PHENYLALANINEA,I1GA10.73
PHIIODO-PHENYLALANINEA,I1GA40.73
PHIIODO-PHENYLALANINEP1CZI0.73
ZEDL-PROLINE, 1-[(2S)-3-MERCAPTO-2-
METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-
, 4S
A2EWB0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.8
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.8
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
A2RDD0.78
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,D1NX90.78
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
A1H8S0.78
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
A2EX60.78
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.73
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.73
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.73
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.73
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.73
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.73
RRT(R)-RETRO-THIORPHANE1Z9G0.8
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.79
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.7
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.77
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.73
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.73
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.73
PNMOPEN FORM - PENICILLIN GA1GHP0.82
PNMOPEN FORM - PENICILLIN GA1PWC0.82
PNMOPEN FORM - PENICILLIN GA1IYQ0.82
PNMOPEN FORM - PENICILLIN GA1FQG0.82
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.82
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.82
PNMOPEN FORM - PENICILLIN GA2EX80.82
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
A,B,C,D2C4J0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
2SK(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-
5-(METHYLTHIO)CYCLOPENTANE-1,2,3-
TRIOL
A2F7P0.71
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.77
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.7
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.7