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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02548083

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
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.77
B2FPHENYLALANINE BORONIC ACIDA,P1P060.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.77
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.79
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
BAMBENZAMIDINEU1F5K0.94
BAMBENZAMIDINEX2BY80.94
BAMBENZAMIDINEB2PSM0.94
BAMBENZAMIDINEX2BY90.94
BAMBENZAMIDINEA1C1N0.94
BAMBENZAMIDINEX2BY60.94
BAMBENZAMIDINEH,I1C5O0.94
BAMBENZAMIDINEA1XX40.94
BAMBENZAMIDINEA1HJ80.94
BAMBENZAMIDINEA1C5P0.94
BAMBENZAMIDINEB1C5Z0.94
BAMBENZAMIDINEA,B1ZVW0.94
BAMBENZAMIDINEA2ANW0.94
BAMBENZAMIDINEA2ANY0.94
BAMBENZAMIDINEX2BYA0.94
BAMBENZAMIDINEA1TIO0.94
BAMBENZAMIDINEX2BY50.94
BAMBENZAMIDINEX2BY70.94
271N-methyl-1-phenylmethanamineX2RBT0.8
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.85
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.85
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.83
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.75
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.76
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.79
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.79
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
BZZBENZYLHYDRAZINEA,B2E2V0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.81
FBA4-FLUOROBENZYLAMINEA1TNH0.81
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.76
ABNBENZYLAMINED,H2HXC0.84
ABNBENZYLAMINEA,I1A860.84
ABNBENZYLAMINEA1UTN0.84
ABNBENZYLAMINEA1N6X0.84
ABNBENZYLAMINEA2BZA0.84
ABNBENZYLAMINEA2EUS0.84
ABNBENZYLAMINEA1N6Y0.84
ABNBENZYLAMINEA1UTJ0.84
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
BENBENZAMIDINEA2TIO0.94
BENBENZAMIDINEA1J150.94
BENBENZAMIDINEA,B3BEU0.94
BENBENZAMIDINET1V2U0.94
BENBENZAMIDINEA,B,C,D,E,F3CF80.94
BENBENZAMIDINEA1S0R0.94
BENBENZAMIDINEA,B1V160.94
BENBENZAMIDINEA1CC70.94
BENBENZAMIDINEA3BG80.94
BENBENZAMIDINEA1CC80.94
BENBENZAMIDINEA3PTB0.94
BENBENZAMIDINEA,B1TRM0.94
BENBENZAMIDINEA1ZHR0.94
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.94
BENBENZAMIDINEA2BLV0.94
BENBENZAMIDINEA,B,C,D,E,F2GLP0.94
BENBENZAMIDINEH,I3D490.94
BENBENZAMIDINEH,L,T2AER0.94
BENBENZAMIDINEA1J140.94
BENBENZAMIDINEA1NSA0.94
BENBENZAMIDINEA2AYW0.94
BENBENZAMIDINEA1BRA0.94
BENBENZAMIDINEA,B,C,D1A0J0.94
BENBENZAMIDINEB,C,D2AST0.94
BENBENZAMIDINEA,B2CKR0.94
BENBENZAMIDINEA1LPU0.94
BENBENZAMIDINEA1ZHM0.94
BENBENZAMIDINEA1J8A0.94
BENBENZAMIDINEA,B3BCX0.94
BENBENZAMIDINEA,B,C,D,E,F3CF90.94
BENBENZAMIDINEA,B,C,D,E,F3D040.94
BENBENZAMIDINEA,B,C,D,E,F2GLL0.94
BENBENZAMIDINEA1AND0.94
BENBENZAMIDINEA2TBS0.94
BENBENZAMIDINEA,B,C,D,E,F3DP20.94
BENBENZAMIDINET1V2M0.94
BENBENZAMIDINEA2EEK0.94
BENBENZAMIDINEH,I2ZI20.94
BENBENZAMIDINET1V2J0.94
BENBENZAMIDINEH1KLI0.94
BENBENZAMIDINEA1CE50.94
BENBENZAMIDINEA,B,C,D,E,F3B7J0.94
BENBENZAMIDINEB,Y2PKA0.94
BENBENZAMIDINEA2VJ00.94
BENBENZAMIDINEA3B3J0.94
BENBENZAMIDINEA,B,C,D,E,F3DOY0.94
BENBENZAMIDINEA,B,C,D,E,F3DP30.94
BENBENZAMIDINEA,B,C,D,E,F2GLM0.94
BENBENZAMIDINEA1ANB0.94
BENBENZAMIDINEA1LO60.94
BENBENZAMIDINEA1LR40.94
BENBENZAMIDINEA,B1V1M0.94
BENBENZAMIDINEA1ZHP0.94
BENBENZAMIDINEA2J9N0.94
BENBENZAMIDINEA2BMV0.94
BENBENZAMIDINEA,B2CKS0.94
BENBENZAMIDINEA2BLW0.94
BENBENZAMIDINEA1J160.94
BENBENZAMIDINEA,B1V110.94
BENBENZAMIDINEA,B,C,D,E,F3DP00.94
BENBENZAMIDINEB1RTF0.94
BENBENZAMIDINEA,B,C,D,E,F3DP10.94
BENBENZAMIDINEA,B,C,D2E580.94
BENBENZAMIDINEA2TRM0.94
BENBENZAMIDINET1V2V0.94
BENBENZAMIDINEA1MBQ0.94
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.94
BENBENZAMIDINEA2O8U0.94
BENBENZAMIDINEH1DWB0.94
BENBENZAMIDINEB,C2ASS0.94
BENBENZAMIDINEA1ANE0.94
BENBENZAMIDINEH,I2ZIQ0.94
BENBENZAMIDINEA1BIT0.94
BENBENZAMIDINEA2AIQ0.94
BENBENZAMIDINEA2OQ50.94
BENBENZAMIDINEA1ANC0.94
BENBENZAMIDINEH1JBU0.94
BENBENZAMIDINEA,B2BPQ0.94
BENBENZAMIDINEA,B,C,D2GNN0.94
BENBENZAMIDINET1V2S0.94
BENBENZAMIDINEA1H4W0.94
BENBENZAMIDINEA1OSS0.94
BENBENZAMIDINEA1W800.94
BENBENZAMIDINEA1BTY0.94
BENBENZAMIDINEH,I2ZFQ0.94
BENBENZAMIDINEA1EAX0.94
BENBENZAMIDINEA1L2E0.94
BENBENZAMIDINEA1WRI0.94
BENBENZAMIDINEA,B3BB80.94
BENBENZAMIDINEA2OXS0.94
BENBENZAMIDINEA1DPO0.94
BENBENZAMIDINET1V2L0.94
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.8
PEA2-PHENYLETHYLAMINEA1TNJ0.8
PEA2-PHENYLETHYLAMINED,H2HKM0.8
PEA2-PHENYLETHYLAMINEA1UTO0.8
PEA2-PHENYLETHYLAMINEA,B1D6Y0.8
PEA2-PHENYLETHYLAMINEA,B1D6Z0.8
PEA2-PHENYLETHYLAMINEA,B1D6U0.8
PEA2-PHENYLETHYLAMINEA1UTM0.8
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.81
PBZP-AMINO BENZAMIDINEA1RFN0.81
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.81
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.81
PBZP-AMINO BENZAMIDINEA1FIZ0.81
PBZP-AMINO BENZAMIDINEA1FIW0.81
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.81
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.76
DPKDEPRENYLA,B2BYB0.7
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.81
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.81
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.81
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.73
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.73
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.79
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77