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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00260032

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
RL2N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWM0.76
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.74
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.74
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.72
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.74
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.72
PNMOPEN FORM - PENICILLIN GA1GHP0.72
PNMOPEN FORM - PENICILLIN GA1PWC0.72
PNMOPEN FORM - PENICILLIN GA1IYQ0.72
PNMOPEN FORM - PENICILLIN GA1FQG0.72
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.72
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.72
PNMOPEN FORM - PENICILLIN GA2EX80.72
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
A1AUJ0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.76
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.76
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.76
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.72
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.75
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.82
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.71
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.76
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.71
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.7
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBY0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4Y0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBR0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4W0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H480.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H540.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H510.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBZ0.72
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBQ0.72
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.7
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.76
RRT(R)-RETRO-THIORPHANE1Z9G0.75
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.72
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.71
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1SIV0.72
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1AAQ0.72
MRT(5R,9S,12S,15S,18S,21S)-21-benzyl-
12,18-bis(carboxymethyl)-15-cyclohexyl-
1-(9H-fluoren-9-yl)-4-methyl-9-
(2-methylpropyl)-3,6,10,13,16,19-
hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-
hexaazadocosan-22-oic acid
A2ZLG0.72
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
H,I1K220.7
MEL[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-
1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
A1K1P0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.71
RAGARGIFINA,B1W9V0.75
RAGARGIFINA1WB00.75
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.73
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.72
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
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.75
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.75
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
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXI0.78
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXH0.78
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXJ0.78
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A5G0.72
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A460.72
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A610.72
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.75
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.76
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.74
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.74
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.7
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C8T0.71
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
A,B1C3I0.71
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.7
78AN-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
A2DCD0.7
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.73
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.71
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.71
MOQMOTUPORINA2BCD0.71
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.73
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine
A,B3CHD0.72
SNAN-{1-[5-(1-CARBAMOYL-2-MERCAPTO-
ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-
2-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-
PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-
SUCCINAMIC ACID
A1PXH0.72
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.72
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.72
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.73
MY5{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-
1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNN0.72
FRFPHE-REDUCED-PHEA,I1GVX0.76
MEAN-METHYLPHENYLALANINEA2PIL0.72
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.72
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.74
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.75
R99N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWL0.76
LGGN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-
L-GLUTAMINYL-N-[(1S)-4-AMINO-1-
(2-CARBOXYETHYL)-4-OXOBUTYL]-L-
LEUCINAMIDE
A,B2IPH0.75
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.71
URGN-acetyl-D-alanyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHF0.74
VRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanyl-
L-aspartic acid
A,B3CHE0.75
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
B1GM80.7
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,B1GM90.7
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.75
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.83
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.75
PNNPENICILLIN GA,B1GM70.71
PNNPENICILLIN GB1FXV0.71
PNNPENICILLIN GA1UOF0.71
PNNPENICILLIN GA1UOB0.71
MMIN-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-
2-METHYLPROPYL}AMINO)-5-HYDROXY-
2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-
4-ISOPROPYL-2,5,9-TRIOXO-1-OXA-
3,6,10-TRIAZACYCLOHEXADECANE-7-
CARBOXAMIDE
D1XS70.7
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.75
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.77
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.73
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.76
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.76
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.73
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,C3DV50.7
BCC6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO-
INDOLIZINE-3-CARBALDEHYDE
H,I,R1B5G0.72
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
A1R1H0.71
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
L3B7R0.71
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.71