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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00472938

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
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.78
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.78
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
VRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHE0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.71
FNH(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-
5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-
1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-
2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2A4Q0.7
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.71
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.72
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.72
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.82
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.8
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.8
PNNPENICILLIN GA,B1GM70.74
PNNPENICILLIN GB1FXV0.74
PNNPENICILLIN GA1UOF0.74
PNNPENICILLIN GA1UOB0.74
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.72
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.7
352(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-
5-(1-hydroxy-1-methylethyl)-5-methyl-
1,3-thiazol-4(5H)-one
A,B,C,D3EY40.71
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
A1NQC0.74
RRT(R)-RETRO-THIORPHANE1Z9G0.72
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.71
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
A1R1H0.72
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
L3B7R0.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.76
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.73
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
TINA,B1N940.81
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.7
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.74
FRFPHE-REDUCED-PHEA,I1GVX0.74
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.73
TI3[(2S)-2-SULFANYL-3-PHENYLPROPANOYL]-
GLY-(5-PHENYLPROLINE)
A1QF20.75
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B2GST0.72
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B6GSW0.72
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B6GSV0.72
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A1B4P0.72
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B6GSX0.72
GPS(9S,10S)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B6GSU0.72
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.73
HU2(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-
ISOPROPYL-7-METHYLOCT-4-ENOYL]-
L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2OC10.72
HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-
3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-
PHENYLALANINOL
A1FMB0.72
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
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
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
A,B,C,D2C4J0.7
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione
A,B,C3DV50.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.71
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.73
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
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
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
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.75
PNMOPEN FORM - PENICILLIN GA1GHP0.76
PNMOPEN FORM - PENICILLIN GA1PWC0.76
PNMOPEN FORM - PENICILLIN GA1IYQ0.76
PNMOPEN FORM - PENICILLIN GA1FQG0.76
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.76
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.76
PNMOPEN FORM - PENICILLIN GA2EX80.76
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE
A,B1BCS0.71
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE
A1SGC0.71
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
B1GM80.73
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
A,B1GM90.73
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.75
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.71
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.76
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.73
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B1MTC0.72
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B5FWG0.72
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B2PGT0.72
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B3FYG0.72
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B3GST0.72
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B,C,D3BWK0.72
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B1NPZ0.72
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.77
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.77
PG1PENICILLIN G ACYL-SERINEA,B1XA70.71
PG1PENICILLIN G ACYL-SERINEA2IWC0.71
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.71
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
AIPANTIPAINA,B1BCR0.7
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.73
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.73
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.71
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.75
FA4SM-25453A,B2D1O0.7
FA4SM-25453A,B2D1N0.7
URGN-acetyl-D-alanyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHF0.7
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
CPUA,B1CR60.71
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid
A3D7D0.8
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE
A,B1HTF0.73
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.79
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.79
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.79
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
H,I1K220.71
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
A1K1P0.71
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.7
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
BCSBENZYLCYSTEINEA,B,G,H10GS0.72
BCSBENZYLCYSTEINEA1EH80.72
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine
A,B3CHD0.73
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.8
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74