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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02548082

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAMBENZAMIDINEU1F5K0.94
BAMBENZAMIDINEX2BY80.94
BAMBENZAMIDINEB2PSM0.94
BAMBENZAMIDINEX2BY90.94
BAMBENZAMIDINEA1C1N0.94
BAMBENZAMIDINEX2BY60.94
BAMBENZAMIDINEH,I1C5O0.94
BAMBENZAMIDINEA1XX40.94
BAMBENZAMIDINEA1HJ80.94
BAMBENZAMIDINEA1C5P0.94
BAMBENZAMIDINEB1C5Z0.94
BAMBENZAMIDINEA,B1ZVW0.94
BAMBENZAMIDINEA2ANW0.94
BAMBENZAMIDINEA2ANY0.94
BAMBENZAMIDINEX2BYA0.94
BAMBENZAMIDINEA1TIO0.94
BAMBENZAMIDINEX2BY50.94
BAMBENZAMIDINEX2BY70.94
BENBENZAMIDINEA2TIO0.94
BENBENZAMIDINEA1J150.94
BENBENZAMIDINEA,B3BEU0.94
BENBENZAMIDINET1V2U0.94
BENBENZAMIDINEA,B,C,D,E,F3CF80.94
BENBENZAMIDINEA1S0R0.94
BENBENZAMIDINEA,B1V160.94
BENBENZAMIDINEA1CC70.94
BENBENZAMIDINEA3BG80.94
BENBENZAMIDINEA1CC80.94
BENBENZAMIDINEA3PTB0.94
BENBENZAMIDINEA,B1TRM0.94
BENBENZAMIDINEA1ZHR0.94
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.94
BENBENZAMIDINEA2BLV0.94
BENBENZAMIDINEA,B,C,D,E,F2GLP0.94
BENBENZAMIDINEH,I3D490.94
BENBENZAMIDINEH,L,T2AER0.94
BENBENZAMIDINEA1J140.94
BENBENZAMIDINEA1NSA0.94
BENBENZAMIDINEA2AYW0.94
BENBENZAMIDINEA1BRA0.94
BENBENZAMIDINEA,B,C,D1A0J0.94
BENBENZAMIDINEB,C,D2AST0.94
BENBENZAMIDINEA,B2CKR0.94
BENBENZAMIDINEA1LPU0.94
BENBENZAMIDINEA1ZHM0.94
BENBENZAMIDINEA1J8A0.94
BENBENZAMIDINEA,B3BCX0.94
BENBENZAMIDINEA,B,C,D,E,F3CF90.94
BENBENZAMIDINEA,B,C,D,E,F3D040.94
BENBENZAMIDINEA,B,C,D,E,F2GLL0.94
BENBENZAMIDINEA1AND0.94
BENBENZAMIDINEA2TBS0.94
BENBENZAMIDINEA,B,C,D,E,F3DP20.94
BENBENZAMIDINET1V2M0.94
BENBENZAMIDINEA2EEK0.94
BENBENZAMIDINEH,I2ZI20.94
BENBENZAMIDINET1V2J0.94
BENBENZAMIDINEH1KLI0.94
BENBENZAMIDINEA1CE50.94
BENBENZAMIDINEA,B,C,D,E,F3B7J0.94
BENBENZAMIDINEB,Y2PKA0.94
BENBENZAMIDINEA2VJ00.94
BENBENZAMIDINEA3B3J0.94
BENBENZAMIDINEA,B,C,D,E,F3DOY0.94
BENBENZAMIDINEA,B,C,D,E,F3DP30.94
BENBENZAMIDINEA,B,C,D,E,F2GLM0.94
BENBENZAMIDINEA1ANB0.94
BENBENZAMIDINEA1LO60.94
BENBENZAMIDINEA1LR40.94
BENBENZAMIDINEA,B1V1M0.94
BENBENZAMIDINEA1ZHP0.94
BENBENZAMIDINEA2J9N0.94
BENBENZAMIDINEA2BMV0.94
BENBENZAMIDINEA,B2CKS0.94
BENBENZAMIDINEA2BLW0.94
BENBENZAMIDINEA1J160.94
BENBENZAMIDINEA,B1V110.94
BENBENZAMIDINEA,B,C,D,E,F3DP00.94
BENBENZAMIDINEB1RTF0.94
BENBENZAMIDINEA,B,C,D,E,F3DP10.94
BENBENZAMIDINEA,B,C,D2E580.94
BENBENZAMIDINEA2TRM0.94
BENBENZAMIDINET1V2V0.94
BENBENZAMIDINEA1MBQ0.94
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.94
BENBENZAMIDINEA2O8U0.94
BENBENZAMIDINEH1DWB0.94
BENBENZAMIDINEB,C2ASS0.94
BENBENZAMIDINEA1ANE0.94
BENBENZAMIDINEH,I2ZIQ0.94
BENBENZAMIDINEA1BIT0.94
BENBENZAMIDINEA2AIQ0.94
BENBENZAMIDINEA2OQ50.94
BENBENZAMIDINEA1ANC0.94
BENBENZAMIDINEH1JBU0.94
BENBENZAMIDINEA,B2BPQ0.94
BENBENZAMIDINEA,B,C,D2GNN0.94
BENBENZAMIDINET1V2S0.94
BENBENZAMIDINEA1H4W0.94
BENBENZAMIDINEA1OSS0.94
BENBENZAMIDINEA1W800.94
BENBENZAMIDINEA1BTY0.94
BENBENZAMIDINEH,I2ZFQ0.94
BENBENZAMIDINEA1EAX0.94
BENBENZAMIDINEA1L2E0.94
BENBENZAMIDINEA1WRI0.94
BENBENZAMIDINEA,B3BB80.94
BENBENZAMIDINEA2OXS0.94
BENBENZAMIDINEA1DPO0.94
BENBENZAMIDINET1V2L0.94
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.85
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.85
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.83
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.81
FBA4-FLUOROBENZYLAMINEA1TNH0.81
PBZP-AMINO BENZAMIDINEA,B2BDG0.81
PBZP-AMINO BENZAMIDINEA1RFN0.81
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.81
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.81
PBZP-AMINO BENZAMIDINEA1FIZ0.81
PBZP-AMINO BENZAMIDINEA1FIW0.81
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.81
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.81
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.81
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.81
271N-methyl-1-phenylmethanamineX2RBT0.8
BZZBENZYLHYDRAZINEA,B2E2V0.8
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.8
PEA2-PHENYLETHYLAMINEA1TNJ0.8
PEA2-PHENYLETHYLAMINED,H2HKM0.8
PEA2-PHENYLETHYLAMINEA1UTO0.8
PEA2-PHENYLETHYLAMINEA,B1D6Y0.8
PEA2-PHENYLETHYLAMINEA,B1D6Z0.8
PEA2-PHENYLETHYLAMINEA,B1D6U0.8
PEA2-PHENYLETHYLAMINEA1UTM0.8
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.79
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.79
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.79
2631-(azidomethyl)-3-methylbenzeneX2RB20.79
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.77
B2FPHENYLALANINE BORONIC ACIDA,P1P060.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.77
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.77
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.76
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.76
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.76
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.76
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.75
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
DPKDEPRENYLA,B2BYB0.7