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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03950210

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.78
PBZP-AMINO BENZAMIDINEA1RFN0.78
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.78
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.78
PBZP-AMINO BENZAMIDINEA1FIZ0.78
PBZP-AMINO BENZAMIDINEA1FIW0.78
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.78
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.82
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
BAMBENZAMIDINEU1F5K0.9
BAMBENZAMIDINEX2BY80.9
BAMBENZAMIDINEB2PSM0.9
BAMBENZAMIDINEX2BY90.9
BAMBENZAMIDINEA1C1N0.9
BAMBENZAMIDINEX2BY60.9
BAMBENZAMIDINEH,I1C5O0.9
BAMBENZAMIDINEA1XX40.9
BAMBENZAMIDINEA1HJ80.9
BAMBENZAMIDINEA1C5P0.9
BAMBENZAMIDINEB1C5Z0.9
BAMBENZAMIDINEA,B1ZVW0.9
BAMBENZAMIDINEA2ANW0.9
BAMBENZAMIDINEA2ANY0.9
BAMBENZAMIDINEX2BYA0.9
BAMBENZAMIDINEA1TIO0.9
BAMBENZAMIDINEX2BY50.9
BAMBENZAMIDINEX2BY70.9
34A3,4-DIMETHYLANILINEA1L4K0.72
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.73
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.73
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.76
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.73
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.73
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.78
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.72
PRY2-PROPYL-ANILINEA1OWY0.71
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
271N-methyl-1-phenylmethanamineX2RBT0.73
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
BZZBENZYLHYDRAZINEA,B2E2V0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
BENBENZAMIDINEA2TIO0.9
BENBENZAMIDINEA1J150.9
BENBENZAMIDINEA,B3BEU0.9
BENBENZAMIDINET1V2U0.9
BENBENZAMIDINEA,B,C,D,E,F3CF80.9
BENBENZAMIDINEA1S0R0.9
BENBENZAMIDINEA,B1V160.9
BENBENZAMIDINEA1CC70.9
BENBENZAMIDINEA3BG80.9
BENBENZAMIDINEA1CC80.9
BENBENZAMIDINEA3PTB0.9
BENBENZAMIDINEA,B1TRM0.9
BENBENZAMIDINEA1ZHR0.9
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.9
BENBENZAMIDINEA2BLV0.9
BENBENZAMIDINEA,B,C,D,E,F2GLP0.9
BENBENZAMIDINEH,I3D490.9
BENBENZAMIDINEH,L,T2AER0.9
BENBENZAMIDINEA1J140.9
BENBENZAMIDINEA1NSA0.9
BENBENZAMIDINEA2AYW0.9
BENBENZAMIDINEA1BRA0.9
BENBENZAMIDINEA,B,C,D1A0J0.9
BENBENZAMIDINEB,C,D2AST0.9
BENBENZAMIDINEA,B2CKR0.9
BENBENZAMIDINEA1LPU0.9
BENBENZAMIDINEA1ZHM0.9
BENBENZAMIDINEA1J8A0.9
BENBENZAMIDINEA,B3BCX0.9
BENBENZAMIDINEA,B,C,D,E,F3CF90.9
BENBENZAMIDINEA,B,C,D,E,F3D040.9
BENBENZAMIDINEA,B,C,D,E,F2GLL0.9
BENBENZAMIDINEA1AND0.9
BENBENZAMIDINEA2TBS0.9
BENBENZAMIDINEA,B,C,D,E,F3DP20.9
BENBENZAMIDINET1V2M0.9
BENBENZAMIDINEA2EEK0.9
BENBENZAMIDINEH,I2ZI20.9
BENBENZAMIDINET1V2J0.9
BENBENZAMIDINEH1KLI0.9
BENBENZAMIDINEA1CE50.9
BENBENZAMIDINEA,B,C,D,E,F3B7J0.9
BENBENZAMIDINEB,Y2PKA0.9
BENBENZAMIDINEA2VJ00.9
BENBENZAMIDINEA3B3J0.9
BENBENZAMIDINEA,B,C,D,E,F3DOY0.9
BENBENZAMIDINEA,B,C,D,E,F3DP30.9
BENBENZAMIDINEA,B,C,D,E,F2GLM0.9
BENBENZAMIDINEA1ANB0.9
BENBENZAMIDINEA1LO60.9
BENBENZAMIDINEA1LR40.9
BENBENZAMIDINEA,B1V1M0.9
BENBENZAMIDINEA1ZHP0.9
BENBENZAMIDINEA2J9N0.9
BENBENZAMIDINEA2BMV0.9
BENBENZAMIDINEA,B2CKS0.9
BENBENZAMIDINEA2BLW0.9
BENBENZAMIDINEA1J160.9
BENBENZAMIDINEA,B1V110.9
BENBENZAMIDINEA,B,C,D,E,F3DP00.9
BENBENZAMIDINEB1RTF0.9
BENBENZAMIDINEA,B,C,D,E,F3DP10.9
BENBENZAMIDINEA,B,C,D2E580.9
BENBENZAMIDINEA2TRM0.9
BENBENZAMIDINET1V2V0.9
BENBENZAMIDINEA1MBQ0.9
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.9
BENBENZAMIDINEA2O8U0.9
BENBENZAMIDINEH1DWB0.9
BENBENZAMIDINEB,C2ASS0.9
BENBENZAMIDINEA1ANE0.9
BENBENZAMIDINEH,I2ZIQ0.9
BENBENZAMIDINEA1BIT0.9
BENBENZAMIDINEA2AIQ0.9
BENBENZAMIDINEA2OQ50.9
BENBENZAMIDINEA1ANC0.9
BENBENZAMIDINEH1JBU0.9
BENBENZAMIDINEA,B2BPQ0.9
BENBENZAMIDINEA,B,C,D2GNN0.9
BENBENZAMIDINET1V2S0.9
BENBENZAMIDINEA1H4W0.9
BENBENZAMIDINEA1OSS0.9
BENBENZAMIDINEA1W800.9
BENBENZAMIDINEA1BTY0.9
BENBENZAMIDINEH,I2ZFQ0.9
BENBENZAMIDINEA1EAX0.9
BENBENZAMIDINEA1L2E0.9
BENBENZAMIDINEA1WRI0.9
BENBENZAMIDINEA,B3BB80.9
BENBENZAMIDINEA2OXS0.9
BENBENZAMIDINEA1DPO0.9
BENBENZAMIDINET1V2L0.9
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.76
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74