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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00351293

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.73
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.74
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.71
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.72
R99N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWL0.72
FRFPHE-REDUCED-PHEA,I1GVX0.72
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A3TLH0.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A1B110.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A6FIV0.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A5FIV0.71
INT[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-
VALINYL-[PHENYL-1-HYDROXYPROP-2-
YL]-AMINE
A2HAH0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.75
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1SIV0.73
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1AAQ0.73
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.77
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.75
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.75
DFKD-PHENYLALANYL-N-[(1S)-4-{[(Z)-
AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-
L-PROLINAMIDE
H,L3E6P0.72
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXI0.73
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXH0.73
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXJ0.73
FA4SM-25453A,B2D1O0.71
FA4SM-25453A,B2D1N0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
RRT(R)-RETRO-THIORPHANE1Z9G0.72
CPUA,B1CR60.7
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH
H1LHE0.72
D7G((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2,3-DIOXOPROPYL)AMINO)CARBONYL)-
3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-
3-OXAPENTYL ESTER
A2G8J0.71
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.77
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.72
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CMC0.72
JT5N~2~-(biphenyl-4-ylsulfonyl)-N-
hydroxy-N~2~-(2-hydroxyethyl)glycinamide
A2JT50.7
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.71
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.74
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
3575-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-
6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-
2(1H)-ONE
A2BAN0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.75
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.71
ATNN-[(2S,3R)-3-AMINO-2-HYDROXY-4-
PHENYL-BUTANOYL]-L-PROLYL-L-PROLYL-
L-ALANINAMIDE
A1N510.72
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.75
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.72
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.72
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.73
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
A1R1H0.7
BIRN-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-
2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
L3B7R0.7
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,C3DV50.76
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.73
SH1N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-
N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-
1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE
U1W140.72
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.73
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.75
BCC6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO-
INDOLIZINE-3-CARBALDEHYDE
H,I,R1B5G0.73
PNMOPEN FORM - PENICILLIN GA1GHP0.71
PNMOPEN FORM - PENICILLIN GA1PWC0.71
PNMOPEN FORM - PENICILLIN GA1IYQ0.71
PNMOPEN FORM - PENICILLIN GA1FQG0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.71
PNMOPEN FORM - PENICILLIN GA2EX80.71
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.76
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.7
MY5{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-
1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNN0.72
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.71
AZL1-ETHOXYCARBONYL-D-PHE-PRO-2(4-
AMINOBUTYL)HYDRAZINE
H,I1AE80.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.73
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE
A2GG90.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.79
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
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.72
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.72
RL2N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWM0.72
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.75
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.71
T16BOROLOG2H1A3E0.74
TTXTENTOXINB1KMH0.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.74
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A5G0.71
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A460.71
BIC3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
H,I1A610.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.71
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HIH0.74
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HII0.74
GB6(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-
2-one
A3DDF0.7
TZTSOBLIDOTINA,B,C,D3E220.71
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.75
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.75
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
A4FIV0.71
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
A1ODY0.71
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
A2FMB0.71
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.73
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.77
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.7
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
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.83
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.72
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.72
LGGN-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-
L-GLUTAMINYL-N-[(1S)-4-AMINO-1-
(2-CARBOXYETHYL)-4-OXOBUTYL]-L-
LEUCINAMIDE
A,B2IPH0.7
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
A1AUJ0.73