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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213388

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.73
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.77
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.77
BENBENZAMIDINEA2TIO0.91
BENBENZAMIDINEA1J150.91
BENBENZAMIDINEA,B3BEU0.91
BENBENZAMIDINET1V2U0.91
BENBENZAMIDINEA,B,C,D,E,F3CF80.91
BENBENZAMIDINEA1S0R0.91
BENBENZAMIDINEA,B1V160.91
BENBENZAMIDINEA1CC70.91
BENBENZAMIDINEA3BG80.91
BENBENZAMIDINEA1CC80.91
BENBENZAMIDINEA3PTB0.91
BENBENZAMIDINEA,B1TRM0.91
BENBENZAMIDINEA1ZHR0.91
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.91
BENBENZAMIDINEA2BLV0.91
BENBENZAMIDINEA,B,C,D,E,F2GLP0.91
BENBENZAMIDINEH,I3D490.91
BENBENZAMIDINEH,L,T2AER0.91
BENBENZAMIDINEA1J140.91
BENBENZAMIDINEA1NSA0.91
BENBENZAMIDINEA2AYW0.91
BENBENZAMIDINEA1BRA0.91
BENBENZAMIDINEA,B,C,D1A0J0.91
BENBENZAMIDINEB,C,D2AST0.91
BENBENZAMIDINEA,B2CKR0.91
BENBENZAMIDINEA1LPU0.91
BENBENZAMIDINEA1ZHM0.91
BENBENZAMIDINEA1J8A0.91
BENBENZAMIDINEA,B3BCX0.91
BENBENZAMIDINEA,B,C,D,E,F3CF90.91
BENBENZAMIDINEA,B,C,D,E,F3D040.91
BENBENZAMIDINEA,B,C,D,E,F2GLL0.91
BENBENZAMIDINEA1AND0.91
BENBENZAMIDINEA2TBS0.91
BENBENZAMIDINEA,B,C,D,E,F3DP20.91
BENBENZAMIDINET1V2M0.91
BENBENZAMIDINEA2EEK0.91
BENBENZAMIDINEH,I2ZI20.91
BENBENZAMIDINET1V2J0.91
BENBENZAMIDINEH1KLI0.91
BENBENZAMIDINEA1CE50.91
BENBENZAMIDINEA,B,C,D,E,F3B7J0.91
BENBENZAMIDINEB,Y2PKA0.91
BENBENZAMIDINEA2VJ00.91
BENBENZAMIDINEA3B3J0.91
BENBENZAMIDINEA,B,C,D,E,F3DOY0.91
BENBENZAMIDINEA,B,C,D,E,F3DP30.91
BENBENZAMIDINEA,B,C,D,E,F2GLM0.91
BENBENZAMIDINEA1ANB0.91
BENBENZAMIDINEA1LO60.91
BENBENZAMIDINEA1LR40.91
BENBENZAMIDINEA,B1V1M0.91
BENBENZAMIDINEA1ZHP0.91
BENBENZAMIDINEA2J9N0.91
BENBENZAMIDINEA2BMV0.91
BENBENZAMIDINEA,B2CKS0.91
BENBENZAMIDINEA2BLW0.91
BENBENZAMIDINEA1J160.91
BENBENZAMIDINEA,B1V110.91
BENBENZAMIDINEA,B,C,D,E,F3DP00.91
BENBENZAMIDINEB1RTF0.91
BENBENZAMIDINEA,B,C,D,E,F3DP10.91
BENBENZAMIDINEA,B,C,D2E580.91
BENBENZAMIDINEA2TRM0.91
BENBENZAMIDINET1V2V0.91
BENBENZAMIDINEA1MBQ0.91
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.91
BENBENZAMIDINEA2O8U0.91
BENBENZAMIDINEH1DWB0.91
BENBENZAMIDINEB,C2ASS0.91
BENBENZAMIDINEA1ANE0.91
BENBENZAMIDINEH,I2ZIQ0.91
BENBENZAMIDINEA1BIT0.91
BENBENZAMIDINEA2AIQ0.91
BENBENZAMIDINEA2OQ50.91
BENBENZAMIDINEA1ANC0.91
BENBENZAMIDINEH1JBU0.91
BENBENZAMIDINEA,B2BPQ0.91
BENBENZAMIDINEA,B,C,D2GNN0.91
BENBENZAMIDINET1V2S0.91
BENBENZAMIDINEA1H4W0.91
BENBENZAMIDINEA1OSS0.91
BENBENZAMIDINEA1W800.91
BENBENZAMIDINEA1BTY0.91
BENBENZAMIDINEH,I2ZFQ0.91
BENBENZAMIDINEA1EAX0.91
BENBENZAMIDINEA1L2E0.91
BENBENZAMIDINEA1WRI0.91
BENBENZAMIDINEA,B3BB80.91
BENBENZAMIDINEA2OXS0.91
BENBENZAMIDINEA1DPO0.91
BENBENZAMIDINET1V2L0.91
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.72
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.81
8171-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-
3-TRIFLUOROMETHYL-BENZENE
A2ANO0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.77
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.77
FBA4-FLUOROBENZYLAMINEA1TNH0.77
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.77
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.77
BZZBENZYLHYDRAZINEA,B2E2V0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.79
PBZP-AMINO BENZAMIDINEA1RFN0.79
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.79
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.79
PBZP-AMINO BENZAMIDINEA1FIZ0.79
PBZP-AMINO BENZAMIDINEA1FIW0.79
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.74
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.77
BAMBENZAMIDINEU1F5K0.91
BAMBENZAMIDINEX2BY80.91
BAMBENZAMIDINEB2PSM0.91
BAMBENZAMIDINEX2BY90.91
BAMBENZAMIDINEA1C1N0.91
BAMBENZAMIDINEX2BY60.91
BAMBENZAMIDINEH,I1C5O0.91
BAMBENZAMIDINEA1XX40.91
BAMBENZAMIDINEA1HJ80.91
BAMBENZAMIDINEA1C5P0.91
BAMBENZAMIDINEB1C5Z0.91
BAMBENZAMIDINEA,B1ZVW0.91
BAMBENZAMIDINEA2ANW0.91
BAMBENZAMIDINEA2ANY0.91
BAMBENZAMIDINEX2BYA0.91
BAMBENZAMIDINEA1TIO0.91
BAMBENZAMIDINEX2BY50.91
BAMBENZAMIDINEX2BY70.91
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
271N-methyl-1-phenylmethanamineX2RBT0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.8
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.8
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71