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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02545705

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.7
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.84
ABNBENZYLAMINED,H2HXC0.83
ABNBENZYLAMINEA,I1A860.83
ABNBENZYLAMINEA1UTN0.83
ABNBENZYLAMINEA1N6X0.83
ABNBENZYLAMINEA2BZA0.83
ABNBENZYLAMINEA2EUS0.83
ABNBENZYLAMINEA1N6Y0.83
ABNBENZYLAMINEA1UTJ0.83
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.82
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.77
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
271N-methyl-1-phenylmethanamineX2RBT0.79
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.73
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.74
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.74
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.83
BENBENZAMIDINEA2TIO0.92
BENBENZAMIDINEA1J150.92
BENBENZAMIDINEA,B3BEU0.92
BENBENZAMIDINET1V2U0.92
BENBENZAMIDINEA,B,C,D,E,F3CF80.92
BENBENZAMIDINEA1S0R0.92
BENBENZAMIDINEA,B1V160.92
BENBENZAMIDINEA1CC70.92
BENBENZAMIDINEA3BG80.92
BENBENZAMIDINEA1CC80.92
BENBENZAMIDINEA3PTB0.92
BENBENZAMIDINEA,B1TRM0.92
BENBENZAMIDINEA1ZHR0.92
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.92
BENBENZAMIDINEA2BLV0.92
BENBENZAMIDINEA,B,C,D,E,F2GLP0.92
BENBENZAMIDINEH,I3D490.92
BENBENZAMIDINEH,L,T2AER0.92
BENBENZAMIDINEA1J140.92
BENBENZAMIDINEA1NSA0.92
BENBENZAMIDINEA2AYW0.92
BENBENZAMIDINEA1BRA0.92
BENBENZAMIDINEA,B,C,D1A0J0.92
BENBENZAMIDINEB,C,D2AST0.92
BENBENZAMIDINEA,B2CKR0.92
BENBENZAMIDINEA1LPU0.92
BENBENZAMIDINEA1ZHM0.92
BENBENZAMIDINEA1J8A0.92
BENBENZAMIDINEA,B3BCX0.92
BENBENZAMIDINEA,B,C,D,E,F3CF90.92
BENBENZAMIDINEA,B,C,D,E,F3D040.92
BENBENZAMIDINEA,B,C,D,E,F2GLL0.92
BENBENZAMIDINEA1AND0.92
BENBENZAMIDINEA2TBS0.92
BENBENZAMIDINEA,B,C,D,E,F3DP20.92
BENBENZAMIDINET1V2M0.92
BENBENZAMIDINEA2EEK0.92
BENBENZAMIDINEH,I2ZI20.92
BENBENZAMIDINET1V2J0.92
BENBENZAMIDINEH1KLI0.92
BENBENZAMIDINEA1CE50.92
BENBENZAMIDINEA,B,C,D,E,F3B7J0.92
BENBENZAMIDINEB,Y2PKA0.92
BENBENZAMIDINEA2VJ00.92
BENBENZAMIDINEA3B3J0.92
BENBENZAMIDINEA,B,C,D,E,F3DOY0.92
BENBENZAMIDINEA,B,C,D,E,F3DP30.92
BENBENZAMIDINEA,B,C,D,E,F2GLM0.92
BENBENZAMIDINEA1ANB0.92
BENBENZAMIDINEA1LO60.92
BENBENZAMIDINEA1LR40.92
BENBENZAMIDINEA,B1V1M0.92
BENBENZAMIDINEA1ZHP0.92
BENBENZAMIDINEA2J9N0.92
BENBENZAMIDINEA2BMV0.92
BENBENZAMIDINEA,B2CKS0.92
BENBENZAMIDINEA2BLW0.92
BENBENZAMIDINEA1J160.92
BENBENZAMIDINEA,B1V110.92
BENBENZAMIDINEA,B,C,D,E,F3DP00.92
BENBENZAMIDINEB1RTF0.92
BENBENZAMIDINEA,B,C,D,E,F3DP10.92
BENBENZAMIDINEA,B,C,D2E580.92
BENBENZAMIDINEA2TRM0.92
BENBENZAMIDINET1V2V0.92
BENBENZAMIDINEA1MBQ0.92
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.92
BENBENZAMIDINEA2O8U0.92
BENBENZAMIDINEH1DWB0.92
BENBENZAMIDINEB,C2ASS0.92
BENBENZAMIDINEA1ANE0.92
BENBENZAMIDINEH,I2ZIQ0.92
BENBENZAMIDINEA1BIT0.92
BENBENZAMIDINEA2AIQ0.92
BENBENZAMIDINEA2OQ50.92
BENBENZAMIDINEA1ANC0.92
BENBENZAMIDINEH1JBU0.92
BENBENZAMIDINEA,B2BPQ0.92
BENBENZAMIDINEA,B,C,D2GNN0.92
BENBENZAMIDINET1V2S0.92
BENBENZAMIDINEA1H4W0.92
BENBENZAMIDINEA1OSS0.92
BENBENZAMIDINEA1W800.92
BENBENZAMIDINEA1BTY0.92
BENBENZAMIDINEH,I2ZFQ0.92
BENBENZAMIDINEA1EAX0.92
BENBENZAMIDINEA1L2E0.92
BENBENZAMIDINEA1WRI0.92
BENBENZAMIDINEA,B3BB80.92
BENBENZAMIDINEA2OXS0.92
BENBENZAMIDINEA1DPO0.92
BENBENZAMIDINET1V2L0.92
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.88
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.88
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
2631-(azidomethyl)-3-methylbenzeneX2RB20.83
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.76
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.79
PEA2-PHENYLETHYLAMINEA1TNJ0.79
PEA2-PHENYLETHYLAMINED,H2HKM0.79
PEA2-PHENYLETHYLAMINEA1UTO0.79
PEA2-PHENYLETHYLAMINEA,B1D6Y0.79
PEA2-PHENYLETHYLAMINEA,B1D6Z0.79
PEA2-PHENYLETHYLAMINEA,B1D6U0.79
PEA2-PHENYLETHYLAMINEA1UTM0.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.8
FBA4-FLUOROBENZYLAMINEA1TNH0.8
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.82
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.82
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
BZZBENZYLHYDRAZINEA,B2E2V0.79
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.8
PBZP-AMINO BENZAMIDINEA1RFN0.8
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.8
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.8
PBZP-AMINO BENZAMIDINEA1FIZ0.8
PBZP-AMINO BENZAMIDINEA1FIW0.8
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.8
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.7
BAMBENZAMIDINEU1F5K0.92
BAMBENZAMIDINEX2BY80.92
BAMBENZAMIDINEB2PSM0.92
BAMBENZAMIDINEX2BY90.92
BAMBENZAMIDINEA1C1N0.92
BAMBENZAMIDINEX2BY60.92
BAMBENZAMIDINEH,I1C5O0.92
BAMBENZAMIDINEA1XX40.92
BAMBENZAMIDINEA1HJ80.92
BAMBENZAMIDINEA1C5P0.92
BAMBENZAMIDINEB1C5Z0.92
BAMBENZAMIDINEA,B1ZVW0.92
BAMBENZAMIDINEA2ANW0.92
BAMBENZAMIDINEA2ANY0.92
BAMBENZAMIDINEX2BYA0.92
BAMBENZAMIDINEA1TIO0.92
BAMBENZAMIDINEX2BY50.92
BAMBENZAMIDINEX2BY70.92
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.7
BRNBERENILA,B268D0.73
BRNBERENILA,B1D630.73
BRNBERENILA,D,E2GBY0.73
BRNBERENILA2DBE0.73
BRNBERENILA2GVR0.73