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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01086735

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.85
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.85
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.7
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.7
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.7
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.73
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.73
FBA4-FLUOROBENZYLAMINEA1TNH0.73
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.71
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
BENBENZAMIDINEA2TIO0.84
BENBENZAMIDINEA1J150.84
BENBENZAMIDINEA,B3BEU0.84
BENBENZAMIDINET1V2U0.84
BENBENZAMIDINEA,B,C,D,E,F3CF80.84
BENBENZAMIDINEA1S0R0.84
BENBENZAMIDINEA,B1V160.84
BENBENZAMIDINEA1CC70.84
BENBENZAMIDINEA3BG80.84
BENBENZAMIDINEA1CC80.84
BENBENZAMIDINEA3PTB0.84
BENBENZAMIDINEA,B1TRM0.84
BENBENZAMIDINEA1ZHR0.84
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.84
BENBENZAMIDINEA2BLV0.84
BENBENZAMIDINEA,B,C,D,E,F2GLP0.84
BENBENZAMIDINEH,I3D490.84
BENBENZAMIDINEH,L,T2AER0.84
BENBENZAMIDINEA1J140.84
BENBENZAMIDINEA1NSA0.84
BENBENZAMIDINEA2AYW0.84
BENBENZAMIDINEA1BRA0.84
BENBENZAMIDINEA,B,C,D1A0J0.84
BENBENZAMIDINEB,C,D2AST0.84
BENBENZAMIDINEA,B2CKR0.84
BENBENZAMIDINEA1LPU0.84
BENBENZAMIDINEA1ZHM0.84
BENBENZAMIDINEA1J8A0.84
BENBENZAMIDINEA,B3BCX0.84
BENBENZAMIDINEA,B,C,D,E,F3CF90.84
BENBENZAMIDINEA,B,C,D,E,F3D040.84
BENBENZAMIDINEA,B,C,D,E,F2GLL0.84
BENBENZAMIDINEA1AND0.84
BENBENZAMIDINEA2TBS0.84
BENBENZAMIDINEA,B,C,D,E,F3DP20.84
BENBENZAMIDINET1V2M0.84
BENBENZAMIDINEA2EEK0.84
BENBENZAMIDINEH,I2ZI20.84
BENBENZAMIDINET1V2J0.84
BENBENZAMIDINEH1KLI0.84
BENBENZAMIDINEA1CE50.84
BENBENZAMIDINEA,B,C,D,E,F3B7J0.84
BENBENZAMIDINEB,Y2PKA0.84
BENBENZAMIDINEA2VJ00.84
BENBENZAMIDINEA3B3J0.84
BENBENZAMIDINEA,B,C,D,E,F3DOY0.84
BENBENZAMIDINEA,B,C,D,E,F3DP30.84
BENBENZAMIDINEA,B,C,D,E,F2GLM0.84
BENBENZAMIDINEA1ANB0.84
BENBENZAMIDINEA1LO60.84
BENBENZAMIDINEA1LR40.84
BENBENZAMIDINEA,B1V1M0.84
BENBENZAMIDINEA1ZHP0.84
BENBENZAMIDINEA2J9N0.84
BENBENZAMIDINEA2BMV0.84
BENBENZAMIDINEA,B2CKS0.84
BENBENZAMIDINEA2BLW0.84
BENBENZAMIDINEA1J160.84
BENBENZAMIDINEA,B1V110.84
BENBENZAMIDINEA,B,C,D,E,F3DP00.84
BENBENZAMIDINEB1RTF0.84
BENBENZAMIDINEA,B,C,D,E,F3DP10.84
BENBENZAMIDINEA,B,C,D2E580.84
BENBENZAMIDINEA2TRM0.84
BENBENZAMIDINET1V2V0.84
BENBENZAMIDINEA1MBQ0.84
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.84
BENBENZAMIDINEA2O8U0.84
BENBENZAMIDINEH1DWB0.84
BENBENZAMIDINEB,C2ASS0.84
BENBENZAMIDINEA1ANE0.84
BENBENZAMIDINEH,I2ZIQ0.84
BENBENZAMIDINEA1BIT0.84
BENBENZAMIDINEA2AIQ0.84
BENBENZAMIDINEA2OQ50.84
BENBENZAMIDINEA1ANC0.84
BENBENZAMIDINEH1JBU0.84
BENBENZAMIDINEA,B2BPQ0.84
BENBENZAMIDINEA,B,C,D2GNN0.84
BENBENZAMIDINET1V2S0.84
BENBENZAMIDINEA1H4W0.84
BENBENZAMIDINEA1OSS0.84
BENBENZAMIDINEA1W800.84
BENBENZAMIDINEA1BTY0.84
BENBENZAMIDINEH,I2ZFQ0.84
BENBENZAMIDINEA1EAX0.84
BENBENZAMIDINEA1L2E0.84
BENBENZAMIDINEA1WRI0.84
BENBENZAMIDINEA,B3BB80.84
BENBENZAMIDINEA2OXS0.84
BENBENZAMIDINEA1DPO0.84
BENBENZAMIDINET1V2L0.84
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.77
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
271N-methyl-1-phenylmethanamineX2RBT0.84
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.7
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.74
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.76
BZZBENZYLHYDRAZINEA,B2E2V0.71
DPKDEPRENYLA,B2BYB0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
BAMBENZAMIDINEU1F5K0.84
BAMBENZAMIDINEX2BY80.84
BAMBENZAMIDINEB2PSM0.84
BAMBENZAMIDINEX2BY90.84
BAMBENZAMIDINEA1C1N0.84
BAMBENZAMIDINEX2BY60.84
BAMBENZAMIDINEH,I1C5O0.84
BAMBENZAMIDINEA1XX40.84
BAMBENZAMIDINEA1HJ80.84
BAMBENZAMIDINEA1C5P0.84
BAMBENZAMIDINEB1C5Z0.84
BAMBENZAMIDINEA,B1ZVW0.84
BAMBENZAMIDINEA2ANW0.84
BAMBENZAMIDINEA2ANY0.84
BAMBENZAMIDINEX2BYA0.84
BAMBENZAMIDINEA1TIO0.84
BAMBENZAMIDINEX2BY50.84
BAMBENZAMIDINEX2BY70.84
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71