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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01086734

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
271N-methyl-1-phenylmethanamineX2RBT0.83
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.86
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.86
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.86
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.75
BENBENZAMIDINEA2TIO0.85
BENBENZAMIDINEA1J150.85
BENBENZAMIDINEA,B3BEU0.85
BENBENZAMIDINET1V2U0.85
BENBENZAMIDINEA,B,C,D,E,F3CF80.85
BENBENZAMIDINEA1S0R0.85
BENBENZAMIDINEA,B1V160.85
BENBENZAMIDINEA1CC70.85
BENBENZAMIDINEA3BG80.85
BENBENZAMIDINEA1CC80.85
BENBENZAMIDINEA3PTB0.85
BENBENZAMIDINEA,B1TRM0.85
BENBENZAMIDINEA1ZHR0.85
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.85
BENBENZAMIDINEA2BLV0.85
BENBENZAMIDINEA,B,C,D,E,F2GLP0.85
BENBENZAMIDINEH,I3D490.85
BENBENZAMIDINEH,L,T2AER0.85
BENBENZAMIDINEA1J140.85
BENBENZAMIDINEA1NSA0.85
BENBENZAMIDINEA2AYW0.85
BENBENZAMIDINEA1BRA0.85
BENBENZAMIDINEA,B,C,D1A0J0.85
BENBENZAMIDINEB,C,D2AST0.85
BENBENZAMIDINEA,B2CKR0.85
BENBENZAMIDINEA1LPU0.85
BENBENZAMIDINEA1ZHM0.85
BENBENZAMIDINEA1J8A0.85
BENBENZAMIDINEA,B3BCX0.85
BENBENZAMIDINEA,B,C,D,E,F3CF90.85
BENBENZAMIDINEA,B,C,D,E,F3D040.85
BENBENZAMIDINEA,B,C,D,E,F2GLL0.85
BENBENZAMIDINEA1AND0.85
BENBENZAMIDINEA2TBS0.85
BENBENZAMIDINEA,B,C,D,E,F3DP20.85
BENBENZAMIDINET1V2M0.85
BENBENZAMIDINEA2EEK0.85
BENBENZAMIDINEH,I2ZI20.85
BENBENZAMIDINET1V2J0.85
BENBENZAMIDINEH1KLI0.85
BENBENZAMIDINEA1CE50.85
BENBENZAMIDINEA,B,C,D,E,F3B7J0.85
BENBENZAMIDINEB,Y2PKA0.85
BENBENZAMIDINEA2VJ00.85
BENBENZAMIDINEA3B3J0.85
BENBENZAMIDINEA,B,C,D,E,F3DOY0.85
BENBENZAMIDINEA,B,C,D,E,F3DP30.85
BENBENZAMIDINEA,B,C,D,E,F2GLM0.85
BENBENZAMIDINEA1ANB0.85
BENBENZAMIDINEA1LO60.85
BENBENZAMIDINEA1LR40.85
BENBENZAMIDINEA,B1V1M0.85
BENBENZAMIDINEA1ZHP0.85
BENBENZAMIDINEA2J9N0.85
BENBENZAMIDINEA2BMV0.85
BENBENZAMIDINEA,B2CKS0.85
BENBENZAMIDINEA2BLW0.85
BENBENZAMIDINEA1J160.85
BENBENZAMIDINEA,B1V110.85
BENBENZAMIDINEA,B,C,D,E,F3DP00.85
BENBENZAMIDINEB1RTF0.85
BENBENZAMIDINEA,B,C,D,E,F3DP10.85
BENBENZAMIDINEA,B,C,D2E580.85
BENBENZAMIDINEA2TRM0.85
BENBENZAMIDINET1V2V0.85
BENBENZAMIDINEA1MBQ0.85
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.85
BENBENZAMIDINEA2O8U0.85
BENBENZAMIDINEH1DWB0.85
BENBENZAMIDINEB,C2ASS0.85
BENBENZAMIDINEA1ANE0.85
BENBENZAMIDINEH,I2ZIQ0.85
BENBENZAMIDINEA1BIT0.85
BENBENZAMIDINEA2AIQ0.85
BENBENZAMIDINEA2OQ50.85
BENBENZAMIDINEA1ANC0.85
BENBENZAMIDINEH1JBU0.85
BENBENZAMIDINEA,B2BPQ0.85
BENBENZAMIDINEA,B,C,D2GNN0.85
BENBENZAMIDINET1V2S0.85
BENBENZAMIDINEA1H4W0.85
BENBENZAMIDINEA1OSS0.85
BENBENZAMIDINEA1W800.85
BENBENZAMIDINEA1BTY0.85
BENBENZAMIDINEH,I2ZFQ0.85
BENBENZAMIDINEA1EAX0.85
BENBENZAMIDINEA1L2E0.85
BENBENZAMIDINEA1WRI0.85
BENBENZAMIDINEA,B3BB80.85
BENBENZAMIDINEA2OXS0.85
BENBENZAMIDINEA1DPO0.85
BENBENZAMIDINET1V2L0.85
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.77
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.72
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.71
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.71
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.71
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.78
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
BAMBENZAMIDINEU1F5K0.85
BAMBENZAMIDINEX2BY80.85
BAMBENZAMIDINEB2PSM0.85
BAMBENZAMIDINEX2BY90.85
BAMBENZAMIDINEA1C1N0.85
BAMBENZAMIDINEX2BY60.85
BAMBENZAMIDINEH,I1C5O0.85
BAMBENZAMIDINEA1XX40.85
BAMBENZAMIDINEA1HJ80.85
BAMBENZAMIDINEA1C5P0.85
BAMBENZAMIDINEB1C5Z0.85
BAMBENZAMIDINEA,B1ZVW0.85
BAMBENZAMIDINEA2ANW0.85
BAMBENZAMIDINEA2ANY0.85
BAMBENZAMIDINEX2BYA0.85
BAMBENZAMIDINEA1TIO0.85
BAMBENZAMIDINEX2BY50.85
BAMBENZAMIDINEX2BY70.85
BZZBENZYLHYDRAZINEA,B2E2V0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.71
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.72
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7