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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03451415

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZZBENZYLHYDRAZINEA,B2E2V0.9
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.86
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.86
ABNBENZYLAMINED,H2HXC0.86
ABNBENZYLAMINEA,I1A860.86
ABNBENZYLAMINEA1UTN0.86
ABNBENZYLAMINEA1N6X0.86
ABNBENZYLAMINEA2BZA0.86
ABNBENZYLAMINEA2EUS0.86
ABNBENZYLAMINEA1N6Y0.86
ABNBENZYLAMINEA1UTJ0.86
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.82
FBA4-FLUOROBENZYLAMINEA1TNH0.82
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.81
PEA2-PHENYLETHYLAMINEA1TNJ0.81
PEA2-PHENYLETHYLAMINED,H2HKM0.81
PEA2-PHENYLETHYLAMINEA1UTO0.81
PEA2-PHENYLETHYLAMINEA,B1D6Y0.81
PEA2-PHENYLETHYLAMINEA,B1D6Z0.81
PEA2-PHENYLETHYLAMINEA,B1D6U0.81
PEA2-PHENYLETHYLAMINEA1UTM0.81
271N-methyl-1-phenylmethanamineX2RBT0.8
BAMBENZAMIDINEU1F5K0.8
BAMBENZAMIDINEX2BY80.8
BAMBENZAMIDINEB2PSM0.8
BAMBENZAMIDINEX2BY90.8
BAMBENZAMIDINEA1C1N0.8
BAMBENZAMIDINEX2BY60.8
BAMBENZAMIDINEH,I1C5O0.8
BAMBENZAMIDINEA1XX40.8
BAMBENZAMIDINEA1HJ80.8
BAMBENZAMIDINEA1C5P0.8
BAMBENZAMIDINEB1C5Z0.8
BAMBENZAMIDINEA,B1ZVW0.8
BAMBENZAMIDINEA2ANW0.8
BAMBENZAMIDINEA2ANY0.8
BAMBENZAMIDINEX2BYA0.8
BAMBENZAMIDINEA1TIO0.8
BAMBENZAMIDINEX2BY50.8
BAMBENZAMIDINEX2BY70.8
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.8
BENBENZAMIDINEA2TIO0.8
BENBENZAMIDINEA1J150.8
BENBENZAMIDINEA,B3BEU0.8
BENBENZAMIDINET1V2U0.8
BENBENZAMIDINEA,B,C,D,E,F3CF80.8
BENBENZAMIDINEA1S0R0.8
BENBENZAMIDINEA,B1V160.8
BENBENZAMIDINEA1CC70.8
BENBENZAMIDINEA3BG80.8
BENBENZAMIDINEA1CC80.8
BENBENZAMIDINEA3PTB0.8
BENBENZAMIDINEA,B1TRM0.8
BENBENZAMIDINEA1ZHR0.8
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.8
BENBENZAMIDINEA2BLV0.8
BENBENZAMIDINEA,B,C,D,E,F2GLP0.8
BENBENZAMIDINEH,I3D490.8
BENBENZAMIDINEH,L,T2AER0.8
BENBENZAMIDINEA1J140.8
BENBENZAMIDINEA1NSA0.8
BENBENZAMIDINEA2AYW0.8
BENBENZAMIDINEA1BRA0.8
BENBENZAMIDINEA,B,C,D1A0J0.8
BENBENZAMIDINEB,C,D2AST0.8
BENBENZAMIDINEA,B2CKR0.8
BENBENZAMIDINEA1LPU0.8
BENBENZAMIDINEA1ZHM0.8
BENBENZAMIDINEA1J8A0.8
BENBENZAMIDINEA,B3BCX0.8
BENBENZAMIDINEA,B,C,D,E,F3CF90.8
BENBENZAMIDINEA,B,C,D,E,F3D040.8
BENBENZAMIDINEA,B,C,D,E,F2GLL0.8
BENBENZAMIDINEA1AND0.8
BENBENZAMIDINEA2TBS0.8
BENBENZAMIDINEA,B,C,D,E,F3DP20.8
BENBENZAMIDINET1V2M0.8
BENBENZAMIDINEA2EEK0.8
BENBENZAMIDINEH,I2ZI20.8
BENBENZAMIDINET1V2J0.8
BENBENZAMIDINEH1KLI0.8
BENBENZAMIDINEA1CE50.8
BENBENZAMIDINEA,B,C,D,E,F3B7J0.8
BENBENZAMIDINEB,Y2PKA0.8
BENBENZAMIDINEA2VJ00.8
BENBENZAMIDINEA3B3J0.8
BENBENZAMIDINEA,B,C,D,E,F3DOY0.8
BENBENZAMIDINEA,B,C,D,E,F3DP30.8
BENBENZAMIDINEA,B,C,D,E,F2GLM0.8
BENBENZAMIDINEA1ANB0.8
BENBENZAMIDINEA1LO60.8
BENBENZAMIDINEA1LR40.8
BENBENZAMIDINEA,B1V1M0.8
BENBENZAMIDINEA1ZHP0.8
BENBENZAMIDINEA2J9N0.8
BENBENZAMIDINEA2BMV0.8
BENBENZAMIDINEA,B2CKS0.8
BENBENZAMIDINEA2BLW0.8
BENBENZAMIDINEA1J160.8
BENBENZAMIDINEA,B1V110.8
BENBENZAMIDINEA,B,C,D,E,F3DP00.8
BENBENZAMIDINEB1RTF0.8
BENBENZAMIDINEA,B,C,D,E,F3DP10.8
BENBENZAMIDINEA,B,C,D2E580.8
BENBENZAMIDINEA2TRM0.8
BENBENZAMIDINET1V2V0.8
BENBENZAMIDINEA1MBQ0.8
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.8
BENBENZAMIDINEA2O8U0.8
BENBENZAMIDINEH1DWB0.8
BENBENZAMIDINEB,C2ASS0.8
BENBENZAMIDINEA1ANE0.8
BENBENZAMIDINEH,I2ZIQ0.8
BENBENZAMIDINEA1BIT0.8
BENBENZAMIDINEA2AIQ0.8
BENBENZAMIDINEA2OQ50.8
BENBENZAMIDINEA1ANC0.8
BENBENZAMIDINEH1JBU0.8
BENBENZAMIDINEA,B2BPQ0.8
BENBENZAMIDINEA,B,C,D2GNN0.8
BENBENZAMIDINET1V2S0.8
BENBENZAMIDINEA1H4W0.8
BENBENZAMIDINEA1OSS0.8
BENBENZAMIDINEA1W800.8
BENBENZAMIDINEA1BTY0.8
BENBENZAMIDINEH,I2ZFQ0.8
BENBENZAMIDINEA1EAX0.8
BENBENZAMIDINEA1L2E0.8
BENBENZAMIDINEA1WRI0.8
BENBENZAMIDINEA,B3BB80.8
BENBENZAMIDINEA2OXS0.8
BENBENZAMIDINEA1DPO0.8
BENBENZAMIDINET1V2L0.8
PBN4-PHENYLBUTYLAMINEA1TNI0.79
PBN4-PHENYLBUTYLAMINEA1UTP0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.79
PRA3-PHENYLPROPYLAMINEM1UTL0.79
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.78
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.76
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
BRNBERENILA,B268D0.73
BRNBERENILA,B1D630.73
BRNBERENILA,D,E2GBY0.73
BRNBERENILA2DBE0.73
BRNBERENILA2GVR0.73
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.72
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.72
DPKDEPRENYLA,B2BYB0.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71
PRY2-PROPYL-ANILINEA1OWY0.7
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7