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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01221408

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
X9Q{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-
5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-
YL}ACETIC ACID
A2HGD0.77
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXI0.74
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXH0.74
K7JN-(3-carboxypropanoyl)-L-alanyl-
L-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-prolinamide
A2QXJ0.74
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.76
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.72
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1SIV0.74
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER
B1AAQ0.74
TZTSOBLIDOTINA,B,C,D3E220.74
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.72
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
45U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentyloxy)ethanoyl)pyrrolidine-
2-carboxamide
A2ZDL0.75
45U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentyloxy)ethanoyl)pyrrolidine-
2-carboxamide
H,I2ZFQ0.75
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH
H1LHE0.73
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.7
DLQDIHYDROMICROCYSTIN-LAA2BDX0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE
A2GG00.76
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
7392(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-
3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE
A,B1JCQ0.71
ATNN-[(2S,3R)-3-AMINO-2-HYDROXY-4-
PHENYL-BUTANOYL]-L-PROLYL-L-PROLYL-
L-ALANINAMIDE
A1N510.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.78
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.78
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE
A2GG90.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.73
GB6(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-
2-one
A3DDF0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.74
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.74
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.74
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.74
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,C2OC10.7
R99N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWL0.75
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
DFKD-PHENYLALANYL-N-[(1S)-4-{[(Z)-
AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-
L-PROLINAMIDE
H,L3E6P0.74
PP82-[(1R)-1-(N-(3-METHYLBUTANOYL)-
L-VALYL-L-ASPARAGINYL)-AMINO)-3-
METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-
3-PHENYLPROPANOIC ACID METHYLESTER
A1BXQ0.7
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
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.71
FRFPHE-REDUCED-PHEA,I1GVX0.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
46U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexyloxy)ethanoyl)pyrrolidine-
2-carboxamide
H,I2ZFR0.75
46U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexyloxy)ethanoyl)pyrrolidine-
2-carboxamide
A2ZDM0.75
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.72
PFCPHENYLFERRICROCIN-IRONA1QJQ0.72
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.75
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.76
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
AIPANTIPAINA,B1BCR0.72
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine
A,B3CHD0.72
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.72
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.7
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.7
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE
A2GG80.75
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.71
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.79
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.74
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.71
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.7
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.72
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.74
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.74
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.74
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.74
D7G((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2,3-DIOXOPROPYL)AMINO)CARBONYL)-
3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-
3-OXAPENTYL ESTER
A2G8J0.7
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.75
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.71
RL2N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWM0.75
GB7(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-
2-hydroxy-1-phenylethyl]amino}methyl)-
1-methylpyrrolidin-2-one
A3DDG0.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER
H,L1A8J0.73
S17methyl 4-bromo-N-[8-(hydroxyamino)-
8-oxooctanoyl]-L-phenylalaninate
A,B,C,D2VCG0.72
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HIH0.73
C20ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-
BENZYL-VAL-NH-ACETYL
A,B1HII0.73
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.71
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.71
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.72
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.71
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.71