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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03539156

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE		A1U6Q0.84
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE		A2GG20.7
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.73
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID		A1TX70.79
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
BZZBENZYLHYDRAZINEA,B2E2V0.7
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.73
BENBENZAMIDINEA2TIO0.89
BENBENZAMIDINEA1J150.89
BENBENZAMIDINEA,B3BEU0.89
BENBENZAMIDINET1V2U0.89
BENBENZAMIDINEA,B,C,D,E,F3CF80.89
BENBENZAMIDINEA1S0R0.89
BENBENZAMIDINEA,B1V160.89
BENBENZAMIDINEA1CC70.89
BENBENZAMIDINEA3BG80.89
BENBENZAMIDINEA1CC80.89
BENBENZAMIDINEA3PTB0.89
BENBENZAMIDINEA,B1TRM0.89
BENBENZAMIDINEA1ZHR0.89
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.89
BENBENZAMIDINEA2BLV0.89
BENBENZAMIDINEA,B,C,D,E,F2GLP0.89
BENBENZAMIDINEH,I3D490.89
BENBENZAMIDINEH,L,T2AER0.89
BENBENZAMIDINEA1J140.89
BENBENZAMIDINEA1NSA0.89
BENBENZAMIDINEA2AYW0.89
BENBENZAMIDINEA1BRA0.89
BENBENZAMIDINEA,B,C,D1A0J0.89
BENBENZAMIDINEB,C,D2AST0.89
BENBENZAMIDINEA,B2CKR0.89
BENBENZAMIDINEA1LPU0.89
BENBENZAMIDINEA1ZHM0.89
BENBENZAMIDINEA1J8A0.89
BENBENZAMIDINEA,B3BCX0.89
BENBENZAMIDINEA,B,C,D,E,F3CF90.89
BENBENZAMIDINEA,B,C,D,E,F3D040.89
BENBENZAMIDINEA,B,C,D,E,F2GLL0.89
BENBENZAMIDINEA1AND0.89
BENBENZAMIDINEA2TBS0.89
BENBENZAMIDINEA,B,C,D,E,F3DP20.89
BENBENZAMIDINET1V2M0.89
BENBENZAMIDINEA2EEK0.89
BENBENZAMIDINEH,I2ZI20.89
BENBENZAMIDINET1V2J0.89
BENBENZAMIDINEH1KLI0.89
BENBENZAMIDINEA1CE50.89
BENBENZAMIDINEA,B,C,D,E,F3B7J0.89
BENBENZAMIDINEB,Y2PKA0.89
BENBENZAMIDINEA2VJ00.89
BENBENZAMIDINEA3B3J0.89
BENBENZAMIDINEA,B,C,D,E,F3DOY0.89
BENBENZAMIDINEA,B,C,D,E,F3DP30.89
BENBENZAMIDINEA,B,C,D,E,F2GLM0.89
BENBENZAMIDINEA1ANB0.89
BENBENZAMIDINEA1LO60.89
BENBENZAMIDINEA1LR40.89
BENBENZAMIDINEA,B1V1M0.89
BENBENZAMIDINEA1ZHP0.89
BENBENZAMIDINEA2J9N0.89
BENBENZAMIDINEA2BMV0.89
BENBENZAMIDINEA,B2CKS0.89
BENBENZAMIDINEA2BLW0.89
BENBENZAMIDINEA1J160.89
BENBENZAMIDINEA,B1V110.89
BENBENZAMIDINEA,B,C,D,E,F3DP00.89
BENBENZAMIDINEB1RTF0.89
BENBENZAMIDINEA,B,C,D,E,F3DP10.89
BENBENZAMIDINEA,B,C,D2E580.89
BENBENZAMIDINEA2TRM0.89
BENBENZAMIDINET1V2V0.89
BENBENZAMIDINEA1MBQ0.89
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.89
BENBENZAMIDINEA2O8U0.89
BENBENZAMIDINEH1DWB0.89
BENBENZAMIDINEB,C2ASS0.89
BENBENZAMIDINEA1ANE0.89
BENBENZAMIDINEH,I2ZIQ0.89
BENBENZAMIDINEA1BIT0.89
BENBENZAMIDINEA2AIQ0.89
BENBENZAMIDINEA2OQ50.89
BENBENZAMIDINEA1ANC0.89
BENBENZAMIDINEH1JBU0.89
BENBENZAMIDINEA,B2BPQ0.89
BENBENZAMIDINEA,B,C,D2GNN0.89
BENBENZAMIDINET1V2S0.89
BENBENZAMIDINEA1H4W0.89
BENBENZAMIDINEA1OSS0.89
BENBENZAMIDINEA1W800.89
BENBENZAMIDINEA1BTY0.89
BENBENZAMIDINEH,I2ZFQ0.89
BENBENZAMIDINEA1EAX0.89
BENBENZAMIDINEA1L2E0.89
BENBENZAMIDINEA1WRI0.89
BENBENZAMIDINEA,B3BB80.89
BENBENZAMIDINEA2OXS0.89
BENBENZAMIDINEA1DPO0.89
BENBENZAMIDINET1V2L0.89
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		A,B1A5H0.84
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE		T1V2N0.84
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE		A2GG50.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.71
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.71
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.71
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.76
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.73
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA		A,B1D1X0.72
BRNBERENILA,B268D0.78
BRNBERENILA,B1D630.78
BRNBERENILA,D,E2GBY0.78
BRNBERENILA2DBE0.78
BRNBERENILA2GVR0.78
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM		A,B,D,E2G0E0.83
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM		A,B1M6F0.83
BAMBENZAMIDINEU1F5K0.89
BAMBENZAMIDINEX2BY80.89
BAMBENZAMIDINEB2PSM0.89
BAMBENZAMIDINEX2BY90.89
BAMBENZAMIDINEA1C1N0.89
BAMBENZAMIDINEX2BY60.89
BAMBENZAMIDINEH,I1C5O0.89
BAMBENZAMIDINEA1XX40.89
BAMBENZAMIDINEA1HJ80.89
BAMBENZAMIDINEA1C5P0.89
BAMBENZAMIDINEB1C5Z0.89
BAMBENZAMIDINEA,B1ZVW0.89
BAMBENZAMIDINEA2ANW0.89
BAMBENZAMIDINEA2ANY0.89
BAMBENZAMIDINEX2BYA0.89
BAMBENZAMIDINEA1TIO0.89
BAMBENZAMIDINEX2BY50.89
BAMBENZAMIDINEX2BY70.89
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
271N-methyl-1-phenylmethanamineX2RBT0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79